%chk=000186753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186753

0 1
O 1.099214 -2.874199 -0.789313
O -1.112735 -3.697768 -0.103659
O -1.153833 3.038955 1.285876
O -3.101426 3.143417 -0.554703
C -0.032898 0.260961 0.008914
C -1.455768 -0.122505 -0.007404
C 0.968819 -0.688894 0.094663
C 0.654336 -2.141138 0.364972
C 0.314415 1.654569 -0.068249
C -0.836778 -2.497218 0.639866
C -0.777169 2.695142 -0.057338
C -1.847956 -1.434400 0.303778
C -2.051118 2.208110 -0.793513
C -2.449974 0.815334 -0.360186
C 2.352080 -0.301975 -0.015449
C 1.627916 2.046802 -0.105094
C 2.677985 1.076477 -0.099013
C -3.205335 -1.790759 0.299676
C -3.799517 0.455450 -0.362720
C -4.179479 -0.847258 -0.024891
C 3.419528 -1.256240 -0.057072
C 4.048510 1.479369 -0.178175
C 4.726788 -0.846664 -0.141076
C 5.048747 0.540032 -0.193049
H 1.264718 -2.491542 1.236996
H -0.962817 -2.836231 1.698037
H -0.447092 3.681025 -0.464967
H -1.923163 2.242531 -1.903551
H 1.896681 3.104217 -0.139556
H -3.490231 -2.816308 0.544124
H -4.550044 1.204239 -0.632822
H -5.233021 -1.124454 -0.022795
H 3.172165 -2.321508 -0.058266
H 0.808001 -3.823048 -0.707626
H -1.254086 -3.473425 -1.058384
H -1.261193 2.227945 1.833198
H 4.278679 2.542780 -0.229491
H -3.099305 3.412662 0.403052
H 5.536710 -1.574482 -0.177370
H 6.095344 0.835599 -0.251920


%chk=000186753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186753

0 1
O 0.343107 -2.758375 -1.256663
O -1.181204 -3.838998 0.661050
O -1.238137 3.050521 1.300787
O -3.121656 3.186230 -0.713622
C -0.049952 0.244121 -0.000912
C -1.480952 -0.140686 0.000070
C 0.962398 -0.736130 0.063582
C 0.559768 -2.199975 0.111042
C 0.302339 1.642122 -0.074798
C -0.784623 -2.439785 0.825671
C -0.805113 2.675802 -0.083261
C -1.861328 -1.461996 0.363472
C -2.055544 2.194036 -0.854826
C -2.478527 0.799967 -0.387157
C 2.354242 -0.354668 0.016706
C 1.641279 2.022739 -0.104394
C 2.694390 1.054406 -0.067357
C -3.220537 -1.832297 0.351965
C -3.837954 0.422258 -0.386370
C -4.209265 -0.891151 -0.019655
C 3.432874 -1.305430 0.033295
C 4.069799 1.451880 -0.115587
C 4.765716 -0.888977 -0.021391
C 5.091864 0.501286 -0.092474
H 1.323819 -2.813439 0.623830
H -0.622188 -2.317652 1.914251
H -0.462992 3.636257 -0.500649
H -1.825892 2.168517 -1.937428
H 1.900906 3.087384 -0.153944
H -3.486329 -2.856707 0.630802
H -4.585615 1.166112 -0.678687
H -5.265534 -1.182232 -0.025977
H 3.218140 -2.377262 0.094399
H 1.128665 -2.556456 -1.822734
H -1.042454 -4.049244 -0.302143
H -1.340530 2.219699 1.835242
H 4.307214 2.520651 -0.172940
H -3.085359 3.482313 0.238458
H 5.570013 -1.632590 -0.006506
H 6.140850 0.813348 -0.129648


