%chk=000250857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250857

0 1
O -1.239578 -1.148062 1.719938
O -5.590748 0.266780 -0.729996
O 6.179677 0.294695 0.768645
C -1.396476 -1.000027 0.286859
C -2.253474 0.284017 -0.020591
C -0.002300 -0.897381 -0.363533
C 0.727118 0.344584 0.220837
C -3.623007 -0.137019 0.589057
C 2.148082 0.523176 -0.406094
C -1.552944 1.479820 0.642255
C -2.330377 -2.175316 -0.046936
C -0.122958 1.629094 0.095017
C -3.754086 -1.643446 0.233090
C 0.821785 -2.163481 -0.097025
C -2.414065 0.527929 -1.528052
C 2.933438 -0.786211 -0.300408
C 2.222527 -2.049372 -0.700226
C 2.878171 1.645460 0.383571
C 2.074845 0.889899 -1.898478
C -4.789469 0.688159 0.074120
C 4.376536 1.704870 0.100512
C 4.228144 -0.828063 0.054336
C 5.039158 0.365874 0.361545
C -4.905541 2.076839 0.642640
H -0.127662 -0.765789 -1.465493
H 0.875861 0.145554 1.317069
H -3.565385 -0.039438 1.700731
H -1.534979 1.350273 1.741786
H -2.126462 2.411012 0.463297
H -2.097421 -3.043559 0.596823
H -2.214418 -2.503181 -1.090830
H -0.170706 1.942974 -0.966997
H 0.378658 2.459364 0.628777
H -4.412187 -1.779112 -0.646371
H -4.225265 -2.192717 1.064385
H 0.305352 -3.049546 -0.514464
H 0.885388 -2.349879 0.995458
H -3.003090 -0.265323 -2.007651
H -2.936231 1.470723 -1.726773
H -1.449563 0.575970 -2.045417
H 2.164345 -2.079476 -1.810853
H 2.816014 -2.945218 -0.418970
H 2.724758 1.490634 1.471181
H 2.421444 2.626184 0.148745
H -0.595836 -0.502262 2.078791
H 1.475404 0.167231 -2.463829
H 1.625841 1.877777 -2.049421
H 3.073189 0.915322 -2.351789
H 4.860734 2.489532 0.717085
H 4.574975 1.998970 -0.950470
H 4.778938 -1.767591 0.133985
H -5.245004 2.050995 1.686329
H -3.947491 2.615001 0.620609
H -5.641360 2.672857 0.083094


%chk=000250857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250857

0 1
O -1.311216 -1.116000 1.735797
O -5.535730 0.465034 -0.874576
O 6.276444 0.248838 0.935319
C -1.415582 -0.969830 0.250871
C -2.267557 0.313737 -0.089246
C 0.009839 -0.904382 -0.358206
C 0.754351 0.374815 0.150551
C -3.645256 -0.109802 0.568023
C 2.213542 0.526550 -0.454179
C -1.556013 1.547357 0.515183
C -2.342807 -2.135434 -0.140525
C -0.098516 1.668649 -0.013336
C -3.782704 -1.622379 0.195245
C 0.833643 -2.171945 -0.042816
C -2.459253 0.504328 -1.620055
C 2.974531 -0.798018 -0.252139
C 2.255210 -2.074249 -0.646125
C 2.944797 1.680938 0.301455
C 2.178553 0.835724 -1.986140
C -4.832044 0.749420 0.134855
C 4.474803 1.688869 0.105592
C 4.263322 -0.847023 0.217233
C 5.095889 0.343894 0.478385
C -5.145524 1.972768 0.990079
H -0.103853 -0.837163 -1.458683
H 0.928758 0.226243 1.244090
H -3.515199 -0.008951 1.662008
H -1.560019 1.486374 1.623285
H -2.099164 2.476826 0.256147
H -2.080549 -3.040481 0.431418
H -2.235837 -2.368765 -1.215416
H -0.134951 1.953820 -1.080965
H 0.395915 2.504586 0.514839
H -4.466697 -1.729958 -0.664273
H -4.216797 -2.181420 1.041111
H 0.324148 -3.065870 -0.449224
H 0.893073 -2.306952 1.053902
H -3.045790 -0.315559 -2.066459
H -3.017009 1.437509 -1.818247
H -1.500121 0.573792 -2.159134
H 2.166057 -2.103004 -1.753807
H 2.861300 -2.952280 -0.357901
H 2.731197 1.581385 1.385534
H 2.531976 2.654850 -0.020189
H -0.713580 -0.409547 2.089452
H 1.591710 0.088682 -2.548943
H 1.738336 1.829938 -2.179901
H 3.199985 0.835400 -2.406122
H 4.955912 2.480511 0.706661
H 4.731445 1.896596 -0.953442
H 4.758708 -1.814274 0.374307
H -5.583118 1.641877 1.952761
H -4.227671 2.536639 1.237206
H -5.868589 2.627440 0.478639


