%chk=000200275.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200275

0 1
O -4.999356 -0.814983 0.908724
O 6.276759 -0.678485 -0.557976
C -2.018700 -0.393772 -0.026419
C -1.199009 0.872910 -0.433008
C 0.168808 0.894006 0.262866
C 0.961637 -0.363307 -0.196880
C -3.380571 -0.095535 -0.740151
C 2.345686 -0.415727 0.525973
C -1.264772 -1.621371 -0.572975
C -2.181888 2.025268 -0.186230
C 0.156605 -1.664735 0.012917
C -3.564010 1.458346 -0.625158
C 0.937790 2.186055 -0.073406
C -2.223505 -0.524216 1.487061
C 3.063970 0.912761 0.304339
C 3.211918 -1.576617 -0.039230
C 2.421806 2.064657 0.074619
C 2.176354 -0.610584 2.045998
C -4.526873 -0.927948 -0.200429
C -4.676040 1.904052 0.315627
C 4.565218 0.832333 0.321409
C 4.070993 -1.152398 -1.232878
C 5.035567 -0.010216 -0.880014
C -5.064812 -1.963800 -1.157048
H -1.007096 0.826675 -1.536303
H 0.028056 0.844274 1.370696
H 1.164349 -0.257951 -1.290935
H -3.254588 -0.324088 -1.825552
H -1.217862 -1.588954 -1.676506
H -1.800655 -2.553237 -0.318489
H -2.188095 2.319952 0.876991
H -1.919876 2.928331 -0.755497
H 0.095023 -1.894932 1.095693
H 0.714519 -2.508865 -0.440985
H -3.797417 1.837888 -1.647949
H 0.560649 3.010215 0.565617
H 0.721148 2.498037 -1.118126
H -2.932622 0.227664 1.862440
H -2.643075 -1.499211 1.757993
H -1.285180 -0.398256 2.037906
H 2.568762 -2.430925 -0.324431
H 3.881543 -1.964212 0.755250
H 2.962126 3.001286 -0.056163
H 1.566277 0.190725 2.480683
H 1.686453 -1.562416 2.276587
H 3.141779 -0.599526 2.562278
H -4.669940 2.988955 0.459589
H -5.666804 1.624944 -0.059829
H -4.580717 1.432499 1.307166
H 5.033588 1.832181 0.307201
H 4.905819 0.352672 1.263879
H 4.669188 -2.018434 -1.588886
H 3.428278 -0.844012 -2.078353
H 5.231170 0.635300 -1.764430
H -5.511950 -1.500527 -2.044564
H -4.280798 -2.649223 -1.499368
H -5.847342 -2.571122 -0.678884
H 6.950315 -0.044097 -0.260251


%chk=000200275-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200275

0 1
O -5.211234 -0.842685 0.760460
O 6.354852 -0.667721 -0.736098
C -2.078680 -0.407737 0.100431
C -1.231610 0.841699 -0.299491
C 0.177080 0.879108 0.331655
C 0.956418 -0.418560 -0.069779
C -3.397982 -0.094005 -0.717423
C 2.398796 -0.453280 0.562429
C -1.309044 -1.664822 -0.373029
C -2.203900 2.018421 -0.078175
C 0.120918 -1.697146 0.232634
C -3.577520 1.489978 -0.621639
C 0.934333 2.155920 -0.108151
C -2.362719 -0.483952 1.623820
C 3.099823 0.897730 0.322646
C 3.292254 -1.566592 -0.105719
C 2.435043 2.049866 0.041957
C 2.347483 -0.726800 2.097220
C -4.599905 -0.956830 -0.339468
C -4.780681 2.027970 0.181941
C 4.616050 0.821863 0.297675
C 4.041042 -1.047483 -1.351138
C 5.073776 0.037285 -0.971516
C -5.027449 -2.007285 -1.361609
H -1.069303 0.761520 -1.401490
H 0.081456 0.905678 1.436343
H 1.096461 -0.369428 -1.175443
H -3.155736 -0.327967 -1.774324
H -1.236583 -1.653238 -1.481803
H -1.846117 -2.592692 -0.089944
H -2.284112 2.261169 0.999502
H -1.892968 2.941495 -0.599810
H 0.039805 -1.840510 1.326212
H 0.646793 -2.589744 -0.156365
H -3.694551 1.848036 -1.664763
H 0.553227 3.029208 0.459266
H 0.701469 2.375397 -1.174986
H -3.017230 0.333303 1.966023
H -2.877413 -1.427195 1.877130
H -1.429197 -0.441921 2.210161
H 2.673647 -2.444789 -0.364802
H 4.043393 -1.924151 0.625586
H 3.015814 2.968298 -0.134772
H 1.635314 -0.057655 2.611517
H 2.058888 -1.773028 2.308568
H 3.342449 -0.562790 2.550827
H -4.739992 3.133965 0.204205
H -5.746029 1.734117 -0.268080
H -4.781924 1.654943 1.219541
H 5.068344 1.831215 0.319100
H 4.994085 0.264417 1.178319
H 4.580556 -1.864877 -1.862616
H 3.318898 -0.622656 -2.074721
H 5.197668 0.747689 -1.816704
H -5.350059 -1.516888 -2.300951
H -4.172323 -2.660418 -1.623516
H -5.853970 -2.617022 -0.964357
H 7.030698 -0.010120 -0.430284


