%chk=000210358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210358

0 1
S 6.186126 1.317667 -0.251310
S 6.855252 -0.564225 -0.741206
O 5.628848 -0.962675 -1.816600
O 8.036686 -0.467391 -1.530798
O 6.714601 -1.432208 0.376355
N 2.356506 0.450686 0.810108
C -1.440800 0.204257 0.319114
C -0.083515 0.117766 1.025650
C -2.595016 -0.123469 1.280136
C 1.061682 0.461563 0.059599
C -3.919903 -0.054634 0.568996
C -4.478067 -1.176239 -0.081573
C -4.614896 1.162512 0.545297
C 3.527045 0.661645 -0.098285
C -5.714165 -1.056016 -0.730626
C -6.403912 0.165509 -0.746597
C -5.845413 1.278757 -0.103669
C -3.777350 -2.498443 -0.086486
C 4.732874 0.964089 0.788945
C -7.721894 0.266040 -1.445141
H -1.589413 1.218214 -0.102316
H -1.469010 -0.485531 -0.546763
H -0.056746 0.811734 1.890982
H 0.060776 -0.894059 1.450049
H -2.582896 0.582074 2.136311
H -2.444858 -1.123297 1.733739
H 0.915674 1.486654 -0.349609
H 1.054583 -0.233857 -0.807450
H 2.463641 -0.443854 1.303209
H -4.189164 2.034665 1.040722
H 3.728138 -0.209032 -0.767283
H 3.313458 1.526677 -0.767659
H -6.146822 -1.920460 -1.229288
H -6.366347 2.232607 -0.107494
H -4.272415 -3.235917 -0.731071
H -2.741640 -2.404082 -0.441860
H -3.740500 -2.928352 0.924832
H 4.551710 1.870543 1.408854
H 4.947093 0.142643 1.504183
H -7.631927 -0.004444 -2.506625
H -8.460957 -0.413175 -0.996909
H -8.147253 1.276784 -1.405037
H 5.892785 -1.349926 -2.667926


%chk=000210358-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210358

0 1
S 6.250929 1.560301 -0.171294
S 7.177711 -0.710096 -0.553258
O 6.766288 -0.807817 -2.367881
O 8.780570 -0.878513 -0.413868
O 6.212096 -1.751115 0.238008
N 2.345905 0.424290 0.568430
C -1.507151 0.247483 0.264198
C -0.108547 0.168936 0.914435
C -2.649863 -0.086093 1.264609
C 1.019879 0.541173 -0.066707
C -4.027785 -0.043773 0.617056
C -4.602465 -1.191759 -0.011620
C -4.752460 1.172386 0.595077
C 3.515874 0.834088 -0.219185
C -5.868304 -1.072260 -0.634600
C -6.593814 0.146651 -0.661285
C -6.013589 1.274404 -0.032848
C -3.890395 -2.536172 -0.010457
C 4.730516 0.936058 0.719301
C -7.952455 0.228029 -1.337340
H -1.675806 1.264193 -0.143999
H -1.559385 -0.445508 -0.599596
H -0.057669 0.843562 1.791377
H 0.058585 -0.861284 1.295644
H -2.606989 0.642033 2.098365
H -2.453849 -1.082728 1.705448
H 0.893403 1.590066 -0.401302
H 0.938961 -0.095637 -0.982310
H 2.480241 -0.461820 1.073187
H -4.320534 2.055600 1.083290
H 3.761653 0.143211 -1.059567
H 3.301958 1.823394 -0.667161
H -6.305844 -1.958728 -1.113478
H -6.550101 2.230982 -0.030691
H -4.462594 -3.285949 -0.583120
H -2.880735 -2.471673 -0.458126
H -3.761888 -2.928645 1.016904
H 4.543699 1.621367 1.567202
H 4.985859 -0.061574 1.133900
H -7.896555 -0.089070 -2.395696
H -8.690099 -0.430252 -0.840020
H -8.352738 1.256352 -1.314772
H 7.370090 -1.502291 -2.768747


