%chk=000197524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197524

0 1
O -5.719249 -1.407147 -1.202529
O 5.286832 -0.897931 -0.137800
O 5.140538 1.274908 0.486155
C -3.009290 0.311158 0.258555
C -3.585933 -1.115297 -0.008956
C -1.660861 0.197838 0.968388
C -0.743527 -0.619885 0.057682
C -2.693204 -1.812858 -1.042948
C -4.165913 1.077212 0.925928
C -0.915393 1.540511 1.167197
C -1.237733 -1.900323 -0.534957
C 0.528301 1.304792 0.637238
C -5.020520 -0.767416 -0.459901
C 0.444002 -0.015211 -0.122904
C -5.424397 0.542365 0.212015
C -3.752172 -1.983700 1.246140
C 1.594526 -0.472572 -0.955136
C 1.034297 2.442638 -0.226291
C 2.850882 -0.709413 -0.106427
C 2.292054 3.093465 0.252958
C 0.410423 2.822976 -1.344799
C 4.098690 -0.774127 -0.980410
C 5.718677 0.214141 0.548291
C 6.945004 -0.138875 1.315163
H -2.818623 0.798727 -0.734981
H -1.776656 -0.313291 1.950241
H -2.724282 -1.263435 -2.003426
H -3.079124 -2.825278 -1.266858
H -4.057824 2.166529 0.806006
H -4.207503 0.886438 2.011131
H -1.409586 2.359346 0.617288
H -0.904656 1.843679 2.223904
H -0.582342 -2.220297 -1.370960
H -1.159774 -2.703046 0.229354
H 1.211606 1.160467 1.510109
H -5.803506 1.253940 -0.543427
H -6.263818 0.375712 0.908409
H -2.780181 -2.252277 1.676766
H -4.323579 -1.474312 2.029508
H -4.271039 -2.920588 1.007002
H 1.334666 -1.393906 -1.515098
H 1.795041 0.304058 -1.729044
H 2.970349 0.113588 0.632740
H 2.745342 -1.633975 0.491814
H 2.201418 3.448871 1.286846
H 3.145323 2.389723 0.226803
H 2.583828 3.955242 -0.360243
H 0.751474 3.627329 -1.974870
H -0.487665 2.349717 -1.709840
H 4.168137 -1.697460 -1.582091
H 4.216534 0.119343 -1.618860
H 7.796029 0.484289 0.997137
H 7.234109 -1.194319 1.185343
H 6.797667 0.040235 2.391846


%chk=000197524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197524

0 1
O -5.822890 -1.680121 -1.010192
O 5.295886 -1.088432 -0.112541
O 5.363462 1.179112 0.440424
C -3.123464 0.277951 0.306379
C -3.620343 -1.180995 0.057798
C -1.689468 0.306512 0.864614
C -0.774667 -0.521289 -0.055634
C -2.745473 -1.852022 -1.023153
C -4.291077 0.956561 1.068868
C -1.005686 1.703351 0.878831
C -1.246740 -1.865053 -0.583408
C 0.492791 1.447234 0.496336
C -5.097121 -0.933126 -0.311020
C 0.414649 0.111917 -0.275735
C -5.546003 0.398732 0.336412
C -3.671311 -2.054694 1.353059
C 1.600409 -0.377979 -1.074553
C 1.151751 2.615748 -0.255185
C 2.821020 -0.712219 -0.166420
C 2.284732 3.331414 0.457729
C 0.736975 2.980898 -1.498497
C 4.111117 -0.824062 -0.988865
C 5.828654 0.019347 0.552535
C 7.020197 -0.375176 1.398226
H -3.075716 0.758991 -0.698301
H -1.691676 -0.127056 1.889037
H -2.845988 -1.286165 -1.969992
H -3.091564 -2.883184 -1.222867
H -4.237307 2.058332 1.029835
H -4.290363 0.664621 2.135929
H -1.460799 2.343488 0.099775
H -1.107568 2.227500 1.845560
H -0.620295 -2.192903 -1.434074
H -1.118823 -2.638842 0.202632
H 1.076452 1.281042 1.428812
H -5.875886 1.073431 -0.477762
H -6.426844 0.236292 0.983399
H -2.664994 -2.208766 1.777623
H -4.299914 -1.602495 2.141138
H -4.097563 -3.044206 1.108190
H 1.332224 -1.265097 -1.678747
H 1.902313 0.420590 -1.782558
H 2.955103 0.091059 0.578948
H 2.638258 -1.652829 0.385718
H 1.971902 3.658589 1.469200
H 3.159769 2.664013 0.591697
H 2.624029 4.219893 -0.102471
H 1.192757 3.822185 -2.033104
H -0.069332 2.445426 -2.015990
H 4.099171 -1.686007 -1.675812
H 4.293062 0.110704 -1.550631
H 7.904834 0.199168 1.072385
H 7.227313 -1.451846 1.320005
H 6.827444 -0.107240 2.451624


