%chk=000189158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189158

0 1
O -2.713478 -1.892544 -0.811056
O -0.420672 -4.181722 -0.736137
O 5.280710 -2.518602 -0.243935
O 4.007655 3.310561 2.114506
O -3.984666 0.348187 1.933023
O -4.930820 2.327800 1.533276
C -0.541726 -0.885428 -0.131386
C 0.474008 -2.043979 -0.329274
C -1.875703 -1.561118 0.298355
C -0.140871 -3.290431 0.365512
C -1.452910 -2.849422 1.032107
C -0.668937 -0.008913 -1.384859
C 1.819701 -1.715559 0.247818
C -1.666811 1.091018 -1.168782
C 2.962160 -1.886728 -0.420619
C 4.309350 -1.539757 0.160739
C -2.766108 1.220741 -1.917074
C 4.787109 -0.143275 -0.277341
C 3.981595 0.969967 0.397405
C -3.833790 2.238249 -1.649342
C 4.515607 2.357148 0.020848
C -5.169700 1.551351 -1.316527
C 3.707418 3.467415 0.707866
C -5.043796 0.543588 -0.167990
C 4.106180 4.862750 0.234339
C -4.694217 1.218502 1.117669
H -0.209354 -0.241147 0.718320
H 0.562685 -2.287606 -1.420834
H -2.527970 -0.889820 0.900772
H 0.552388 -3.802148 1.059518
H -2.240539 -3.618210 0.947018
H -1.315303 -2.665547 2.109885
H -0.955600 -0.636560 -2.254410
H 0.321434 0.423323 -1.637142
H 1.802764 -1.319819 1.265162
H -2.255924 -2.536092 -1.401876
H -0.760002 -5.037126 -0.415724
H -1.446137 1.759949 -0.338544
H 2.990856 -2.297567 -1.429700
H 4.337843 -1.651698 1.271366
H -2.977418 0.546906 -2.748814
H 5.862736 -0.048555 -0.020984
H 4.731156 -0.044589 -1.377009
H 4.021429 0.861130 1.502539
H 2.912697 0.883679 0.119976
H -3.963103 2.893313 -2.535199
H -3.550730 2.919289 -0.819517
H 5.578496 2.443304 0.327544
H 4.493870 2.499742 -1.074962
H 5.368774 -2.557411 -1.214580
H -5.922976 2.324030 -1.058500
H -5.555460 1.023631 -2.211368
H 2.610689 3.307617 0.596464
H -5.991003 -0.022332 -0.035888
H -4.278205 -0.240613 -0.419303
H 5.160175 5.073147 0.457975
H 3.974345 4.975865 -0.847709
H 3.508503 5.644242 0.715348
H 3.758052 4.104103 2.617338
H -3.760656 0.748870 2.812099


%chk=000189158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189158

0 1
O -2.684375 -2.156505 -1.064595
O -0.661277 -4.135068 -1.243567
O 5.164346 -2.560953 0.360100
O 3.981080 3.763573 1.728457
O -4.719771 -0.156614 2.064213
O -5.271079 2.068240 1.726669
C -0.638704 -1.048072 -0.073156
C 0.447544 -2.154677 -0.365994
C -1.965091 -1.830496 0.178480
C -0.224182 -3.505482 0.043867
C -1.462443 -3.112692 0.883506
C -0.712812 0.038348 -1.173877
C 1.747519 -1.892734 0.358365
C -1.735661 1.110968 -0.862949
C 2.945561 -1.665450 -0.238944
C 4.240735 -1.397406 0.495246
C -2.824730 1.376111 -1.630392
C 4.943619 -0.100098 0.034956
C 4.133633 1.180704 0.335523
C -3.924728 2.357566 -1.287211
C 4.876706 2.465812 -0.087974
C -5.313404 1.659593 -1.184482
C 4.099023 3.748035 0.250039
C -5.339366 0.483315 -0.184440
C 4.795067 5.023364 -0.257765
C -5.118717 0.922134 1.247747
H -0.378635 -0.551592 0.887062
H 0.643948 -2.211473 -1.453298
H -2.683404 -1.252620 0.780736
H 0.474536 -4.190549 0.559856
H -2.232747 -3.903055 0.927665
H -1.150614 -2.876329 1.919851
H -0.966979 -0.443130 -2.136464
H 0.300205 0.482558 -1.279619
H 1.694453 -1.864230 1.459748
H -2.151352 -2.866081 -1.525763
H -1.016367 -5.040994 -1.055036
H -1.589157 1.677043 0.072545
H 3.011708 -1.683117 -1.340222
H 4.056051 -1.354726 1.583416
H -2.968933 0.787718 -2.550925
H 5.925927 -0.052459 0.544859
H 5.149916 -0.166040 -1.056462
H 3.913525 1.243406 1.418002
H 3.154654 1.133286 -0.184182
H -3.998998 3.144039 -2.066198
H -3.698607 2.869829 -0.333324
H 5.860531 2.516113 0.419997
H 5.070528 2.448501 -1.179872
H 5.386123 -2.667819 -0.601400
H -6.072013 2.411409 -0.897176
H -5.598091 1.265451 -2.179602
H 3.079886 3.681098 -0.195729
H -6.325766 -0.023198 -0.215912
H -4.591719 -0.285834 -0.448320
H 5.801676 5.114209 0.189094
H 4.901247 5.003193 -1.358419
H 4.217398 5.930957 0.004564
H 3.524313 4.598031 2.005115
H -4.635936 0.169986 3.001990


