%chk=000251648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251648

0 1
O 0.795203 -1.479987 0.190245
O -0.914527 3.741339 -0.333885
N 3.303089 -0.468243 0.430957
N -3.158732 -0.988654 -0.398634
C 3.744236 -0.120875 -0.961641
C 4.459697 -0.925997 1.271167
C -3.264556 -1.020615 1.098734
C -4.007198 -2.062855 -1.017739
C 4.367819 -1.356512 -1.628886
C 5.094994 -2.173994 0.635803
C 5.543202 -1.895906 -0.804451
C -4.724894 -0.803868 1.527467
C -5.479442 -1.857344 -0.622769
C -5.646747 -1.858087 0.901869
C 2.591986 0.686128 1.079335
C -1.728725 -1.164184 -0.829589
C 1.237970 0.915892 0.451407
C -0.892114 0.024359 -0.429666
C 0.411411 -0.170030 0.079121
C 0.755297 2.224867 0.288481
C -1.367946 1.328818 -0.580505
C -0.550658 2.404133 -0.228117
C 1.549763 3.434463 0.657595
C -2.211286 4.029959 -0.904756
H 4.461316 0.726946 -0.978652
H 2.844639 0.204387 -1.531971
H 4.073844 -1.177952 2.282805
H 5.227923 -0.134099 1.402337
H -2.631263 -0.197051 1.497314
H -2.875260 -1.965250 1.535140
H -3.680187 -3.086355 -0.734311
H -3.905743 -1.980947 -2.121358
H 4.697829 -1.098488 -2.651798
H 3.596362 -2.144826 -1.742324
H 4.363350 -3.006788 0.643600
H 5.951297 -2.507336 1.250099
H 5.938295 -2.820551 -1.264743
H 6.377562 -1.169263 -0.810394
H -5.051606 0.208026 1.215809
H -4.796043 -0.831108 2.629429
H -6.101203 -2.646316 -1.081922
H -5.837467 -0.892847 -1.035021
H -5.412159 -2.859009 1.310345
H -6.698992 -1.653688 1.170662
H 3.198766 1.622648 1.054816
H 2.433255 0.442960 2.157156
H -1.708949 -1.244094 -1.941661
H -1.267762 -2.102417 -0.437053
H -2.380309 1.473253 -0.960006
H 1.319758 3.750310 1.685668
H 2.632787 3.268102 0.585674
H 1.297925 4.287165 0.004671
H 1.810274 -1.561336 0.359889
H -2.266267 3.662972 -1.933656
H -2.230816 5.126113 -0.874917
H -3.005096 3.606030 -0.282271


%chk=000251648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251648

0 1
O 1.100882 -1.471345 0.396104
O -1.066647 3.696725 -0.187800
N 3.437114 -0.418003 0.392470
N -3.097875 -1.087961 -0.266785
C 3.760593 -0.178305 -1.048825
C 4.637480 -0.870692 1.154856
C -3.524143 -0.968445 1.151783
C -3.889328 -2.117979 -0.984214
C 4.299043 -1.462620 -1.706481
C 5.214891 -2.167283 0.552286
C 5.540304 -1.989175 -0.949259
C -5.016475 -0.594703 1.253767
C -5.394329 -1.781973 -0.952297
C -5.889849 -1.627060 0.504027
C 2.771488 0.775908 1.024655
C -1.635824 -1.316011 -0.389075
C 1.346699 0.972472 0.513302
C -0.808654 -0.066232 -0.114022
C 0.549446 -0.190754 0.267140
C 0.795242 2.271071 0.354733
C -1.354994 1.225614 -0.269141
C -0.568019 2.375750 -0.044256
C 1.606839 3.531175 0.613944
C -2.456004 3.838248 -0.612632
H 4.516529 0.638805 -1.133561
H 2.837832 0.162882 -1.550086
H 4.333815 -1.036194 2.205278
H 5.417983 -0.071655 1.150494
H -2.897472 -0.198906 1.637271
H -3.348452 -1.932827 1.699797
H -3.734599 -3.136350 -0.535349
H -3.532585 -2.164671 -2.030745
H 4.545075 -1.253555 -2.764644
H 3.500557 -2.229960 -1.698963
H 4.474127 -2.981195 0.676845
H 6.121102 -2.456701 1.117562
H 5.882163 -2.947188 -1.383552
H 6.374965 -1.266581 -1.062827
H -5.165997 0.409160 0.809202
H -5.309576 -0.535863 2.319894
H -5.960874 -2.576323 -1.475992
H -5.557849 -0.833711 -1.500729
H -5.819880 -2.607562 1.019673
H -6.954738 -1.326266 0.522791
H 3.385324 1.688444 0.872776
H 2.746617 0.574959 2.115768
H -1.434351 -1.659150 -1.424616
H -1.276265 -2.135835 0.276718
H -2.406388 1.280363 -0.568455
H 1.967599 3.579756 1.659032
H 2.495581 3.588231 -0.044345
H 0.989056 4.421642 0.426924
H 2.149414 -1.316312 0.441433
H -2.625429 3.380126 -1.607271
H -2.633874 4.923178 -0.668252
H -3.153387 3.382834 0.118547


