d= 0,ls=0.5,diis 201 _4509.8670434860 _6.84D_07 6.20D_05 3.44D_07 11871.7
d= 0,ls=0.5,diis 202 _4509.8670442329 _7.47D_07 6.57D_05 3.61D_07 11927.8
d= 0,ls=0.5,diis 203 _4509.8670450270 _7.94D_07 3.86D_05 3.85D_07 11986.0
d= 0,ls=0.5,diis 204 _4509.8670454329 _4.06D_07 5.21D_05 3.33D_07 12043.2
d= 0,ls=0.5,diis 205 _4509.8670460400 _6.07D_07 7.74D_05 3.22D_07 12100.0
d= 0,ls=0.5,diis 206 _4509.8670469285 _8.88D_07 5.36D_05 3.59D_07 12157.3
d= 0,ls=0.5,diis 207 _4509.8670475714 _6.43D_07 5.23D_05 3.37D_07 12216.6
d= 0,ls=0.5,diis 208 _4509.8670482047 _6.33D_07 6.68D_05 3.30D_07 12273.3
d= 0,ls=0.5,diis 209 _4509.8670489706 _7.66D_07 8.70D_05 3.55D_07 12331.7
d= 0,ls=0.5,diis 210 _4509.8670498960 _9.25D_07 4.48D_05 4.47D_07 12388.1
d= 0,ls=0.5,diis 211 _4509.8670504564 _5.60D_07 5.34D_05 3.34D_07 12446.1
d= 0,ls=0.5,diis 212 _4509.8670510631 _6.07D_07 5.02D_05 3.18D_07 12503.3
d= 0,ls=0.5,diis 213 _4509.8670516306 _5.67D_07 7.41D_05 3.10D_07 12560.6
d= 0,ls=0.5,diis 214 _4509.8670524318 _8.01D_07 8.09D_05 3.49D_07 12618.3
d= 0,ls=0.5,diis 215 _4509.8670533071 _8.75D_07 1.10D_04 4.07D_07 12675.4
d= 0,ls=0.5,diis 216 _4509.8670543637 _1.06D_06 5.92D_05 6.09D_07 12732.6
d= 0,ls=0.5,diis 217 _4509.8670551537 _7.90D_07 3.86D_05 4.31D_07 12789.9
d= 0,ls=0.5,diis 218 _4509.8670556045 _4.51D_07 4.12D_05 3.18D_07 12846.2
d= 0,ls=0.5,diis 219 _4509.8670560303 _4.26D_07 5.91D_05 2.98D_07 12904.7
d= 0,ls=0.5,diis 220 _4509.8670566664 _6.36D_07 1.18D_04 3.02D_07 12961.8
d= 0,ls=0.5,diis 221 _4509.8670577672 _1.10D_06 8.25D_05 5.39D_07 13018.9
d= 0,ls=0.5,diis 222 _4509.8670586788 _9.12D_07 4.92D_05 5.09D_07 13077.0
d= 0,ls=0.5,diis 223 _4509.8670593006 _6.22D_07 4.26D_05 3.52D_07 13135.6
d= 0,ls=0.5,diis 224 _4509.8670597553 _4.55D_07 5.56D_05 3.03D_07 13193.3
d= 0,ls=0.5,diis 225 _4509.8670603457 _5.90D_07 7.51D_05 3.02D_07 13250.7
d= 0,ls=0.5,diis 226 _4509.8670611070 _7.61D_07 7.93D_05 3.41D_07 13307.8
d= 0,ls=0.5,diis 227 _4509.8670619200 _8.13D_07 1.08D_04 4.03D_07 13365.1
d= 0,ls=0.5,diis 228 _4509.8670629040 _9.84D_07 4.22D_05 6.08D_07 13423.2
d= 0,ls=0.5,diis 229 _4509.8670634363 _5.32D_07 3.39D_05 3.30D_07 13479.5
d= 0,ls=0.5,diis 230 _3262.1617259768 1.25D+03 4.75D_05 1.62D+09 13670.6
d= 0,ls=0.5,diis 231 _5329.8234964745 _2.07D+03 4.40D_05 4.01D+09 13728.2
d= 0,ls=0.5,diis 232 13863.7956885399 1.92D+04 4.23D_05 8.31D+10 13902.9
d= 0,ls=0.5,diis 233 16109.9576050395 2.25D+03 3.70D_05 1.13D+11 14171.3
REMEMBER UNDERSCORE IS NEGATIVE SIGN.
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