%chk=000278988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278988

0 1
S -3.226197 -0.943465 -1.638157
O -2.692614 -1.706123 -2.749351
O -4.487552 -0.251479 -1.747825
O 3.850596 1.616729 1.666063
N -1.967945 0.221438 -1.380921
N 1.530020 1.586330 0.145239
N 2.758279 1.233481 -0.359337
N 7.502403 0.082766 -1.499872
C -3.203256 -1.893143 -0.209816
C -2.019082 1.336149 -0.510259
C -3.925881 -1.496375 0.922884
C -2.461809 -3.081348 -0.177341
C -0.815470 1.975420 -0.098428
C -3.148811 -3.460631 2.117975
C -3.899634 -2.271167 2.080693
C -2.431645 -3.862085 0.976923
C -3.255524 1.807646 -0.025369
C -0.884697 3.022722 0.834185
C -3.292801 2.857053 0.890612
C -3.114971 -4.278394 3.363805
C -2.111532 3.459771 1.334154
C 0.490119 1.563586 -0.643585
C 5.136976 0.858159 -0.218849
C 3.885724 1.282956 0.510169
C 5.918064 1.811654 -0.877635
C 5.535409 -0.481294 -0.196341
C 7.099191 1.379209 -1.506266
C 6.730896 -0.826731 -0.850955
H -1.102686 0.116832 -1.926167
H -4.520095 -0.575674 0.902348
H -1.907722 -3.405423 -1.066698
H -4.459943 -1.954197 2.958999
H -1.852161 -4.783543 0.993072
H -4.198035 1.392064 -0.397363
H 0.041678 3.495789 1.172987
H -4.255824 3.213592 1.258139
H -2.147190 4.269499 2.058784
H -2.557790 -3.759466 4.160467
H -4.125537 -4.469901 3.755093
H -2.635528 -5.257057 3.225002
H 0.488714 1.274135 -1.705766
H 2.877869 0.943792 -1.337617
H 5.631678 2.862190 -0.894365
H 4.947533 -1.236068 0.323625
H 7.752704 2.084991 -2.034621
H 7.093777 -1.862288 -0.862114


%chk=000278988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278988

0 1
S -3.774777 -0.512806 -0.461817
O -4.628251 -1.334529 -1.585336
O -4.432659 -0.024306 0.948637
O 2.846264 1.567158 2.071730
N -3.058034 1.086939 -1.535486
N 0.474914 1.723120 0.544166
N 1.446809 0.755605 0.362275
N 5.454850 -2.455546 0.278345
C -2.224533 -1.494359 -0.048131
C -2.942608 2.289558 -0.788936
C -1.686967 -1.372132 1.243717
C -1.680081 -2.328871 -1.037241
C -1.709802 2.552313 -0.094379
C 0.066671 -2.981663 0.584124
C -0.531464 -2.124286 1.548090
C -0.522465 -3.070397 -0.706571
C -3.995939 3.247081 -0.729528
C -1.575963 3.759766 0.643295
C -3.833430 4.449737 -0.018764
C 1.285860 -3.810545 0.941943
C -2.622242 4.700134 0.679060
C -0.615463 1.586818 -0.188114
C 3.573052 -0.366834 0.793824
C 2.614463 0.748386 1.143370
C 3.681898 -0.951034 -0.494803
C 4.444959 -0.831847 1.809559
C 4.630176 -1.979353 -0.700796
C 5.352405 -1.870944 1.512065
H -3.848074 1.120171 -2.213129
H -2.162614 -0.719620 1.982944
H -2.154851 -2.412295 -2.020030
H -0.091826 -2.046075 2.548848
H -0.080611 -3.735722 -1.457104
H -4.942283 3.031253 -1.240256
H -0.633244 3.940497 1.169178
H -4.647746 5.181058 0.012755
H -2.502281 5.628009 1.248181
H 1.984839 -3.250088 1.587403
H 0.987879 -4.720754 1.496909
H 1.838265 -4.137775 0.044773
H -0.757685 0.762835 -0.910811
H 1.270862 -0.035381 -0.277051
H 3.083894 -0.599795 -1.343219
H 4.407503 -0.372269 2.801728
H 4.747543 -2.441021 -1.687743
H 6.032486 -2.258097 2.278525


