101 -910.1461843855 2.37D-04 1.79D-05 264519.3
102 -910.1461843490 2.54D-04 1.99D-05 265676.9
103 -910.1461843812 2.56D-04 1.67D-05 266392.4
104 -910.1461843444 1.89D-04 1.41D-05 267761.1
105 -910.1461843961 1.96D-04 1.18D-05 269118.3
106 -910.1461843636 2.01D-04 1.25D-05 270700.3
107 -910.1461843921 2.21D-04 1.36D-05 271422.1
108 -910.1461843579 2.13D-04 1.24D-05 272762.5
109 -910.1461843933 2.21D-04 1.67D-05 274364.1
110 -910.1461843774 2.02D-04 1.20D-05 275044.3
111 -910.1461843464 2.30D-04 1.40D-05 276189.5
112 -910.1461843569 1.92D-04 1.08D-05 277564.5
113 -910.1461843707 2.36D-04 1.73D-05 278713.7
114 -910.1461843940 2.21D-04 1.34D-05 279858.9
115 -910.1461843767 2.26D-04 1.45D-05 281228.7
116 -910.1461843369 2.17D-04 1.10D-05 282823.2
117 -910.1461844058 1.97D-04 1.51D-05 284184.5
118 -910.1461843799 1.78D-04 9.10D-06 285535.1
119 -910.1461843465 2.30D-04 1.55D-05 286696.3
120 -910.1461843724 2.19D-04 1.44D-05 287857.3
121 -910.1461844080 1.96D-04 1.61D-05 289211.8
122 -910.1461844059 1.59D-04 1.03D-05 290812.5
123 -910.1461843434 1.81D-04 8.70D-06 293691.9
124 -910.1461843714 1.51D-04 1.10D-05 295065.7
125 -910.1461843766 2.10D-04 1.22D-05 299524.0
126 -910.1461844116 1.76D-04 1.46D-05 300667.6
127 -910.1461843740 1.74D-04 1.02D-05 302455.3
128 -910.1461844145 5.16D-04 4.00D-05 306817.7
129 -910.1461843425 2.68D-04 1.79D-05 307731.9
130 -910.1461843510 2.36D-04 1.70D-05 308893.9
131 -910.1461843724 2.43D-04 1.69D-05 309613.7
132 -910.1461843641 1.98D-04 1.13D-05 310767.8
133 -910.1461844011 2.32D-04 1.80D-05 311920.8
134 -910.1461843880 1.69D-04 1.08D-05 313916.3
135 -910.1461843955 1.86D-04 1.20D-05 316143.1
136 -910.1461843835 1.40D-04 1.07D-05 318168.7
137 -910.1461843992 2.38D-04 1.26D-05 320608.1
138 -910.1461843902 2.73D-04 1.68D-05 321318.2
139 -910.1461843371 2.50D-04 1.75D-05 322470.8
140 -910.1461843433 2.49D-04 1.89D-05 323166.3
141 -910.1461843629 2.23D-04 1.62D-05 324532.6
142 -910.1461844320 2.45D-04 2.00D-05 325896.3
143 -910.1461843476 2.29D-04 1.60D-05 327271.5
144 -910.1461844036 2.35D-04 1.49D-05 329527.3
145 -910.1461843954 2.43D-04 1.41D-05 330248.4
146 -910.1461843526 2.16D-04 1.43D-05 331851.9
147 -910.1461843561 2.54D-04 1.64D-05 332568.9
148 -910.1461843771 1.98D-04 1.30D-05 333735.9
149 -910.1461843398 1.99D-04 1.21D-05 335315.8
150 -910.1461843767 1.46D-04 6.94D-06 338161.3
151 -910.1461843988 2.24D-04 1.76D-05 339525.1
152 -910.1461843740 2.15D-04 1.43D-05 341105.9
153 -910.1461843652 2.11D-04 1.55D-05 342021.7
154 -910.1461843488 2.03D-04 1.07D-05 344727.6
155 -910.1461843781 1.79D-04 1.18D-05 346099.0
156 -910.1461843828 1.85D-04 1.07D-05 347665.7
157 -910.1461843519 2.10D-04 1.28D-05 349930.1
158 -910.1461843614 2.04D-04 1.36D-05 351091.5
159 -910.1461843712 2.20D-04 1.54D-05 352676.4
160 -910.1461844146 2.34D-04 1.70D-05 354273.6
161 -910.1461843832 2.18D-04 1.47D-05 354983.7
162 -910.1461843515 2.18D-04 1.32D-05 356368.5
163 -910.1461843573 2.56D-04 1.34D-05 357067.0
164 -910.1461843674 1.74D-04 1.17D-05 358230.0
165 -910.1461843956 1.38D-04 6.79D-06 360235.6
166 -910.1461843739 1.93D-04 1.09D-05 361595.1
167 -910.1461844149 2.46D-04 2.14D-05 363178.1
168 -910.1461843968 1.73D-04 9.72D-06 364525.3
169 -910.1461843380 2.29D-04 1.65D-05 365872.1
170 -910.1461843929 1.65D-04 1.14D-05 367691.7
171 -910.1461843830 1.46D-04 9.92D-06 369044.3
172 -910.1461844000 1.91D-04 1.02D-05 371255.0
173 -910.1461843750 2.15D-04 1.11D-05 372624.6
174 -910.1461843462 1.94D-04 9.32D-06 377016.4
175 -910.1461843920 1.56D-04 8.96D-06 379041.0
176 -910.1461843875 2.34D-04 1.47D-05 381481.4
177 -910.1461843944 1.61D-04 1.06D-05 382621.5
178 -910.1461843794 1.78D-04 9.56D-06 384803.0
179 -910.1461843903 1.56D-04 1.30D-05 386173.7
180 -910.1461843419 1.95D-04 1.45D-05 390592.4
181 -910.1461843599 1.70D-04 8.06D-06 393254.4
182 -910.1461843974 1.58D-04 9.10D-06 397670.0
183 -910.1461843578 1.49D-04 7.36D-06 399227.4
184 -910.1461844167 2.63D-04 1.95D-05 403667.5
185 -910.1461843421 2.21D-04 1.61D-05 405032.3
186 -910.1461843881 1.63D-04 9.40D-06 407052.6
187 -910.1461844035 1.78D-04 9.07D-06 409065.3
188 -910.1461843864 1.54D-04 1.23D-05 412138.5
189 -910.1461843489 1.62D-04 9.06D-06 416529.9
190 -910.1461843786 1.83D-04 1.30D-05 418331.5
191 -910.1461843853 2.22D-04 1.34D-05 420391.3
192 -910.1461843955 1.41D-04 7.70D-06 421536.8
193 -910.1461843494 1.43D-04 8.63D-06 422672.4
194 -910.1461844173 2.49D-04 2.53D-05 427058.8
195 -910.1461843396 2.48D-04 1.71D-05 431452.3
196 -910.1461843809 2.19D-04 1.29D-05 432588.2
197 -910.1461843918 1.56D-04 8.78D-06 434182.5
198 -910.1461844076 2.30D-04 1.71D-05 438605.3
199 -910.1461843460 2.35D-04 1.28D-05 439307.7
200 -910.1461843611 2.52D-04 1.66D-05 440031.9
Calculation failed to converge
------------------------------
Final RHF results
------------------
Total SCF energy = -910.146184361141
One-electron energy = -4212.658012265842
Two-electron energy = 1808.346123147437
Nuclear repulsion energy = 1494.165704757265
Time for solution = 370140.6s
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