%chk=000219700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219700

0 1
O -1.389032 1.224417 0.034085
O 1.293953 0.419571 -1.501420
O 1.629656 1.201432 0.668972
O -1.730121 -0.084292 -1.863601
O 0.725317 3.204672 2.803942
C -0.360835 2.039086 -0.561471
C 0.276177 1.392214 -1.811724
C 0.669165 2.275077 0.566318
C -0.735582 0.591138 -2.648197
C 2.285827 0.860414 -0.559299
C -2.382126 0.741479 -0.891320
C 0.018834 2.290288 1.961921
C 3.134131 -0.346896 -0.254437
C -3.267705 -0.176305 -0.089941
C 2.523896 -1.589954 -0.040280
C 4.528210 -0.217762 -0.182075
C -4.653608 0.033861 -0.068215
C -2.698494 -1.235685 0.629234
C 3.312907 -2.709034 0.242121
C 5.309819 -1.340083 0.103370
C -5.467997 -0.821619 0.677947
C -3.519919 -2.087082 1.374391
C 4.703546 -2.584125 0.314454
C -4.902372 -1.880335 1.398503
H -0.841347 3.006477 -0.846329
H 0.762329 2.181189 -2.434213
H 1.231328 3.219158 0.376707
H -1.242510 1.231212 -3.390542
H -0.229863 -0.264532 -3.149679
H 2.821749 1.741606 -0.963120
H -2.882574 1.597207 -1.384168
H 0.014436 1.274010 2.400823
H -1.012665 2.690957 1.938822
H 1.434907 -1.666393 -0.103152
H 5.003257 0.748052 -0.342642
H 1.603996 2.833959 3.037970
H -5.097659 0.854867 -0.627682
H -1.615536 -1.379521 0.596802
H 2.841959 -3.676657 0.406573
H 6.392537 -1.246316 0.162330
H -6.544780 -0.664402 0.698676
H -3.080791 -2.910741 1.934608
H 5.317245 -3.455885 0.536050
H -5.541663 -2.544024 1.978690


%chk=000219700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219700

0 1
O -1.352779 1.089677 0.148659
O 1.182210 0.302912 -1.442637
O 1.610605 1.203463 0.751782
O -1.781279 -0.077563 -1.923719
O 1.307369 3.100627 2.795275
C -0.394065 2.006528 -0.488571
C 0.235212 1.383095 -1.765475
C 0.699677 2.356276 0.533501
C -0.851280 0.787292 -2.669700
C 2.219446 0.756405 -0.509888
C -2.387416 0.650483 -0.804335
C 0.187147 2.723617 1.930562
C 3.136533 -0.399992 -0.211164
C -3.326854 -0.278152 -0.082692
C 2.585787 -1.651957 0.156564
C 4.539212 -0.236525 -0.269288
C -4.718134 -0.031823 -0.072174
C -2.805129 -1.414141 0.583169
C 3.439234 -2.732145 0.464939
C 5.393963 -1.318599 0.041420
C -5.591215 -0.917437 0.599944
C -3.676406 -2.297316 1.254504
C 4.844457 -2.567896 0.409681
C -5.070762 -2.051297 1.264391
H -0.925927 2.941610 -0.787629
H 0.775663 2.189521 -2.316050
H 1.299279 3.200756 0.122012
H -1.413558 1.615448 -3.156079
H -0.398819 0.142554 -3.438594
H 2.756378 1.625342 -0.963838
H -2.902369 1.558219 -1.206235
H -0.383564 1.870726 2.343048
H -0.467092 3.609931 1.881452
H 1.497758 -1.765567 0.185827
H 4.965719 0.733430 -0.553932
H 1.944618 2.339540 2.787751
H -5.121718 0.848072 -0.588557
H -1.724860 -1.588475 0.569094
H 3.013298 -3.701270 0.747417
H 6.480721 -1.188179 -0.004267
H -6.669477 -0.723883 0.605812
H -3.273283 -3.175798 1.770479
H 5.505429 -3.408240 0.650353
H -5.745723 -2.738569 1.786988


