%chk=000187002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187002

0 1
O -2.221631 1.727235 1.419901
O 0.303751 -2.015965 -0.558408
O -4.781812 0.705539 0.375377
O 0.086352 2.627262 0.603221
O 4.248737 0.703263 0.364813
C -1.933135 -0.758683 -1.301116
C -1.340321 0.131965 -0.223670
C -3.457427 -0.547909 -1.237602
C 0.087467 0.253275 -0.030428
C -2.348561 0.747736 0.451499
C -3.705510 0.379540 -0.048261
C 0.959889 -0.854248 -0.239818
C 0.726702 1.473617 0.344458
C 2.348793 -0.781261 -0.120039
C 2.121231 1.588388 0.460029
C 2.912483 0.461795 0.221990
C 1.076811 -3.230032 -0.745400
C 5.178972 -0.387992 0.145515
H -1.516932 -0.499366 -2.291781
H -1.669526 -1.822793 -1.126703
H -4.008548 -1.495946 -1.111451
H -3.853932 -0.092506 -2.162984
H 2.975176 -1.644941 -0.284379
H 2.567637 2.543502 0.731568
H -1.909282 1.315614 2.270928
H -0.938822 2.565151 0.655118
H 1.609403 -3.485174 0.175580
H 1.754452 -3.118778 -1.596722
H 0.288146 -3.963448 -0.959731
H 5.005690 -1.185202 0.873587
H 6.144019 0.106159 0.324358
H 5.106829 -0.745897 -0.885250


%chk=000187002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187002

0 1
O -2.281795 1.778818 1.439783
O 0.407390 -2.117603 -0.589424
O -4.735045 1.087711 0.334714
O 0.048050 2.584564 0.777993
O 4.343538 0.697199 0.362880
C -2.005031 -0.908776 -1.139115
C -1.339008 0.068539 -0.147438
C -3.517760 -0.541248 -1.183751
C 0.106266 0.188191 0.057629
C -2.358452 0.808967 0.425889
C -3.684450 0.508262 -0.096889
C 1.008960 -0.898167 -0.234216
C 0.737130 1.422571 0.494854
C 2.410775 -0.780853 -0.146880
C 2.139678 1.546827 0.575366
C 2.968982 0.461439 0.251571
C 1.267919 -3.265704 -0.880497
C 5.260943 -0.398054 0.039137
H -1.524696 -0.837654 -2.130907
H -1.854311 -1.944584 -0.797442
H -4.180725 -1.405279 -1.000156
H -3.810599 -0.111801 -2.159828
H 3.053022 -1.633794 -0.369290
H 2.568883 2.499612 0.889805
H -3.214713 2.108216 1.597399
H -0.905400 2.442417 1.100953
H 1.870356 -3.549624 0.003846
H 1.934998 -3.063509 -1.740631
H 0.575588 -4.082474 -1.133099
H 5.113954 -1.261418 0.716915
H 6.267119 0.019790 0.188254
H 5.145535 -0.722681 -1.013227


