%chk=000116278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116278

2 1
O 6.971536 -1.177743 0.078610
O -6.972128 -1.181190 -0.060737
N 4.494042 0.325273 -0.075338
N -4.495109 0.324732 0.070859
C 3.101738 0.341567 -0.728321
C -3.102808 0.351164 0.723520
C 5.536665 0.305239 -1.202669
C 4.657186 -0.932877 0.780402
C -4.657854 -0.946028 -0.766117
C -5.537722 0.321096 1.198371
C 1.934353 0.354000 0.266974
C -1.935424 0.349029 -0.271853
C 0.593811 0.354463 -0.489253
C -0.594886 0.361543 0.484276
C 4.681669 1.565091 0.768553
C -4.683134 1.551832 -0.791338
C 6.955091 0.045289 -0.666110
C 6.116700 -1.136831 1.226067
C -6.117308 -1.157055 -1.208680
C -6.956067 0.052773 0.665735
H 3.037029 1.236117 -1.394816
H 3.016407 -0.550178 -1.396897
H -3.038347 1.255592 1.376572
H -3.017230 -0.530467 1.405346
H 5.276889 -0.510167 -1.923039
H 5.506772 1.261472 -1.772806
H 3.986283 -0.887149 1.666858
H 4.341218 -1.820876 0.178282
H -3.986987 -0.913232 -1.653174
H -4.341581 -1.824891 -0.150898
H -5.277691 -0.483457 1.930751
H -5.508125 1.285688 1.754265
H 1.976236 -0.527727 0.939669
H 1.985703 1.246048 0.925818
H -1.987165 1.230956 -0.944156
H -1.976917 -0.542822 -0.931091
H 0.531308 -0.533604 -1.151771
H 0.535779 1.237264 -1.159125
H -0.537262 1.254386 1.140738
H -0.531977 -0.516388 1.160132
H 4.527177 2.489929 0.180797
H 5.705301 1.623347 1.191566
H 3.982247 1.593962 1.624143
H -4.529115 2.485343 -0.217330
H -5.706727 1.603381 -1.215310
H -3.983591 1.568317 -1.647158
H 7.351609 0.878528 -0.058554
H 7.668500 -0.168538 -1.495917
H 6.265729 -2.147095 1.672401
H 6.463105 -0.372337 1.944370
H -6.463964 -0.403430 -1.938261
H -6.266011 -2.173888 -1.639953
H -7.669412 -0.148927 1.498627
H -7.352841 0.876774 0.045873


%chk=000116278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116278

2 1
O 7.066310 -1.249458 0.018202
O -7.065685 -1.253505 -0.003484
N 4.559004 0.333704 -0.023779
N -4.560433 0.333624 0.019256
C 3.141463 0.337981 -0.657387
C -3.143979 0.349094 0.655198
C 5.583048 0.301296 -1.197100
C 4.756187 -0.944496 0.831620
C -4.754421 -0.958032 -0.816489
C -5.586774 0.317919 1.190858
C 1.954631 0.370898 0.324022
C -1.955918 0.368358 -0.325089
C 0.616586 0.360706 -0.467692
C -0.618370 0.367651 0.467518
C 4.763561 1.591528 0.815605
C -4.764599 1.578004 -0.839998
C 7.016347 0.013721 -0.721578
C 6.230026 -1.162057 1.215597
C -6.227141 -1.183147 -1.200319
C -7.018782 0.020946 0.717096
H 3.116822 1.218944 -1.325060
H 3.092780 -0.569428 -1.286088
H -3.121372 1.240121 1.309464
H -3.095389 -0.548625 1.297674
H 5.251198 -0.508825 -1.868058
H 5.510429 1.268936 -1.723361
H 4.118744 -0.855921 1.726610
H 4.408209 -1.786736 0.209434
H -4.114970 -0.883196 -1.711295
H -4.407334 -1.789986 -0.180131
H -5.254903 -0.481118 1.874939
H -5.516663 1.293687 1.702279
H 1.976029 -0.506829 0.997090
H 1.985982 1.278305 0.955646
H -1.986229 1.267328 -0.968725
H -1.977077 -0.518129 -0.986596
H 0.578277 -0.535878 -1.118678
H 0.576435 1.243394 -1.137183
H -0.577558 1.259280 1.125005
H -0.581162 -0.520101 1.130526
H 4.507781 2.471810 0.205762
H 5.812261 1.659713 1.134235
H 4.119053 1.549661 1.705192
H -4.506453 2.467705 -0.245016
H -5.813700 1.642711 -1.158000
H -4.121659 1.520475 -1.729838
H 7.439665 0.841819 -0.116017
H 7.659663 -0.124279 -1.605001
H 6.323635 -2.134364 1.724627
H 6.605011 -0.375596 1.903302
H -6.601761 -0.407758 -1.900660
H -6.318432 -2.163225 -1.694681
H -7.663585 -0.104406 1.601321
H -7.442088 0.839071 0.098129


