%chk=000233768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233768

0 1
O 1.268098 -1.261280 0.050077
O 0.241791 2.385068 -1.210393
O 3.048050 3.153170 0.054680
O -5.852882 0.143211 0.191573
O -2.546096 -2.957882 -0.023783
O 2.555036 -2.930129 -0.790711
N -4.189461 -1.394153 0.120725
C 1.365856 1.664065 0.840519
C 2.324319 -0.748303 0.955075
C 1.612961 0.409520 1.685587
C 3.532524 -0.286603 0.132936
C 3.212013 0.889949 -0.798553
C 0.156068 1.481251 -0.104613
C 2.614244 2.026226 0.020575
C -1.191137 1.677564 0.617494
C -2.221872 0.631468 0.165987
C 2.689958 -1.863472 1.928644
C 4.449743 1.350050 -1.562429
C -3.640612 0.999662 0.631737
C -1.861392 -0.761572 0.706704
C -4.664313 -0.058318 0.302741
C -2.834384 -1.808069 0.240197
C 1.492445 -2.357685 -0.764736
C 0.259225 -2.654151 -1.536327
H 1.167248 2.522743 1.532166
H 2.227144 0.687165 2.568342
H 0.650719 0.040481 2.095358
H 3.923091 -1.138856 -0.469592
H 4.363410 -0.017847 0.815641
H 2.426933 0.569068 -1.536785
H 0.218620 0.488582 -0.623639
H -1.066992 1.648139 1.715810
H -1.571767 2.695777 0.393643
H -2.218958 0.597445 -0.956107
H 3.374411 -1.524534 2.712866
H 1.803794 -2.286830 2.415459
H 3.187872 -2.699376 1.406720
H 4.213201 2.197611 -2.220922
H 5.242916 1.695568 -0.887178
H 4.861434 0.547705 -2.184246
H -3.965363 1.960435 0.172713
H -3.666823 1.186927 1.727352
H -1.830045 -0.765293 1.816910
H -0.821746 -1.047713 0.401997
H 0.341893 3.316358 -0.922466
H -4.885101 -2.107818 -0.145855
H -0.167777 -1.762397 -2.016087
H -0.539521 -3.082577 -0.892268
H 0.458725 -3.399750 -2.323638


%chk=000233768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233768

0 1
O 1.674785 -1.495756 0.232901
O -0.113404 1.996329 -1.171016
O 2.592872 3.211741 -0.397162
O -6.171482 1.120675 0.457500
O -3.763237 -2.524716 -1.086826
O 3.230807 -3.029530 -0.629291
N -4.900123 -0.661093 -0.303466
C 1.349731 1.518817 0.822085
C 2.696846 -0.730166 1.073630
C 1.852302 0.376418 1.750396
C 3.784688 -0.114781 0.163487
C 3.225458 0.889643 -0.884576
C 0.047913 1.152150 0.031217
C 2.425265 1.980899 -0.176190
C -1.212857 1.260398 0.917004
C -2.480043 0.709019 0.222959
C 3.285634 -1.684120 2.129753
C 4.330650 1.457306 -1.791405
C -3.762143 1.157640 0.960882
C -2.459260 -0.835493 0.135928
C -5.040309 0.576694 0.367811
C -3.723572 -1.424221 -0.475511
C 2.058585 -2.599389 -0.544277
C 0.853106 -3.173525 -1.260579
H 1.114910 2.404606 1.448052
H 2.493496 0.823359 2.534270
H 0.999524 -0.097314 2.272198
H 4.336656 -0.918295 -0.351603
H 4.508328 0.409973 0.819889
H 2.488298 0.339812 -1.509778
H 0.155873 0.135235 -0.373669
H -1.052933 0.723937 1.875234
H -1.365003 2.330408 1.168722
H -2.499116 1.122514 -0.805395
H 3.945828 -1.122020 2.814767
H 2.479442 -2.143538 2.728980
H 3.875643 -2.482924 1.654610
H 3.912243 2.159288 -2.531633
H 5.079955 2.012842 -1.199457
H 4.844442 0.640033 -2.328551
H -3.874324 2.255411 0.955330
H -3.716879 0.848856 2.026746
H -2.346836 -1.265764 1.153878
H -1.612040 -1.209560 -0.461230
H 0.112625 2.937883 -0.949206
H -5.760197 -1.056282 -0.704977
H 0.474722 -2.454891 -2.010041
H 0.031766 -3.373352 -0.551737
H 1.138861 -4.104556 -1.770756


