%chk=000251576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251576

0 1
S -0.595380 2.724736 -0.029216
O -0.601783 3.770840 -1.034922
O -1.000061 3.003394 1.329647
O -3.278249 -3.116967 1.922563
O 4.660714 -1.153361 1.889467
N -1.673737 1.561664 -0.706308
N 4.695502 0.035361 -0.090124
C -2.110286 0.375508 -0.051756
C -2.485224 -0.765681 -0.862937
C -2.895834 -1.959579 -0.217341
C 0.924425 1.930600 -0.025051
C -2.166945 0.300241 1.329774
C -2.908936 -1.990126 1.219325
C -2.459077 -0.744657 -2.293995
C -2.554914 -0.895561 1.978130
C -3.280395 -3.092322 -0.998818
C 1.294611 1.099353 1.040884
C 1.812837 2.126214 -1.091321
C 3.417305 0.654383 -0.027957
C -2.831255 -1.846092 -3.024501
C -3.251526 -3.038967 -2.369170
C 2.530004 0.458807 1.047800
C 3.053069 1.498225 -1.105993
C 5.256243 -0.843837 0.882824
C 6.630838 -1.327634 0.524566
H -2.137064 1.769502 -1.598968
H -1.942724 1.172353 1.958794
H -2.130993 0.160992 -2.804536
H -2.584985 -0.943674 3.065874
H -3.597959 -3.997402 -0.478602
H 0.610419 0.951102 1.886043
H 1.532417 2.788543 -1.920676
H -2.810697 -1.826130 -4.113335
H 2.807487 -0.191428 1.886677
H 3.730517 1.662694 -1.939738
H -3.544869 -3.896695 -2.972231
H 5.256084 0.254437 -0.918463
H -3.527585 -3.861255 1.317261
H 6.649043 -1.902035 -0.411880
H 7.006696 -2.001723 1.315497
H 7.359866 -0.510126 0.437112


%chk=000251576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251576

0 1
S -0.480848 2.103545 0.857463
O -0.435512 3.745446 0.808847
O -0.883243 1.287688 2.220428
O -5.765647 -2.129988 1.033650
O 5.244071 -1.931392 0.020382
N -1.830445 1.515027 -0.746712
N 5.072279 0.252854 -0.826791
C -2.798566 0.614085 -0.284786
C -2.493840 -0.808646 -0.331395
C -3.472822 -1.770269 0.122489
C 1.222995 1.501105 0.337907
C -4.065154 1.024825 0.206343
C -4.752098 -1.282231 0.585382
C -1.241966 -1.282958 -0.828191
C -5.041375 0.091218 0.611301
C -3.145995 -3.165044 0.087251
C 1.649161 0.227905 0.748826
C 2.024330 2.362721 -0.430467
C 3.766298 0.628622 -0.411257
C -0.948380 -2.649991 -0.854598
C -1.904512 -3.599839 -0.384749
C 2.933167 -0.217249 0.373850
C 3.305634 1.917620 -0.802947
C 5.746855 -0.955880 -0.608051
C 7.157998 -1.008877 -1.187403
H -2.219334 2.478797 -0.835855
H -4.289378 2.096152 0.273486
H -0.529136 -0.545180 -1.207093
H -6.020214 0.413541 0.975869
H -3.862962 -3.923982 0.430488
H 0.997412 -0.397576 1.367761
H 1.661334 3.358567 -0.702628
H 0.015985 -2.996676 -1.240868
H 3.300885 -1.198379 0.677625
H 3.952277 2.574138 -1.398464
H -1.667469 -4.668651 -0.402306
H 5.583550 0.962495 -1.356299
H -5.492719 -3.080528 1.011956
H 7.443900 -0.111473 -1.763004
H 7.242540 -1.893559 -1.840938
H 7.878544 -1.144288 -0.362102


