%chk=000191291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191291

0 1
S -0.008813 0.021534 -2.660018
N -3.182632 -0.062896 -0.239722
N 3.183062 -0.054059 -0.255957
N -1.188661 -1.417801 -0.736452
N 1.191062 -1.414737 -0.746575
N 0.011196 -1.711257 1.371008
C -2.511766 -0.949988 -1.250144
C 2.508408 -0.938061 -1.266735
C -2.493081 1.265226 -0.125547
C -4.632992 0.099881 -0.594721
C 2.485198 1.268121 -0.124448
C 4.628428 0.121900 -0.624854
C -3.179134 2.122378 0.949858
C -5.341357 0.934708 0.485155
C 3.176568 2.122469 0.949789
C 5.342148 0.953923 0.453637
C -4.671443 2.304549 0.648187
C 4.664221 2.317670 0.633665
C -1.224415 -2.075571 0.608364
C 1.237901 -2.077868 0.595160
C -0.001681 -0.946376 -1.262813
C 0.017671 -2.346389 2.717507
H -3.139555 -1.866059 -1.386398
H -2.386208 -0.470066 -2.255167
H 2.373867 -0.452725 -2.268007
H 3.139308 -1.850501 -1.412700
H -2.461319 1.812173 -1.092881
H -1.436821 1.075299 0.170793
H -5.092771 -0.910626 -0.642191
H -4.775841 0.574453 -1.590232
H 1.433696 1.068178 0.182188
H 2.438883 1.821880 -1.087299
H 4.757411 0.604723 -1.618294
H 5.094884 -0.884895 -0.684573
H -2.674321 3.103516 1.014813
H -3.053918 1.639890 1.939520
H -5.313151 0.390018 1.449846
H -6.407870 1.052984 0.221514
H 3.065388 1.631942 1.937177
H 2.665426 3.099410 1.027271
H 6.404960 1.081784 0.179724
H 5.327973 0.402059 1.414552
H -5.159051 2.873894 1.460456
H -4.802926 2.905606 -0.271558
H 4.781587 2.926231 -0.283050
H 5.156336 2.884709 1.444825
H -2.106838 -1.694248 1.189498
H -1.346169 -3.172747 0.440145
H 1.353140 -3.174905 0.421464
H 2.127737 -1.702761 1.168847
H 0.017048 -3.446604 2.715761
H -0.864224 -1.995297 3.281722
H 0.905748 -1.996274 3.272592


%chk=000191291-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191291

0 1
S -0.009975 0.199509 -2.782214
N -3.306671 -0.017530 -0.290080
N 3.304590 -0.003854 -0.308619
N -1.177218 -1.133701 -0.680327
N 1.177597 -1.128111 -0.688273
N 0.008271 -1.548801 1.375456
C -2.515253 -0.839003 -1.230524
C 2.510773 -0.825723 -1.246425
C -2.823848 1.387924 -0.205594
C -4.766282 -0.095849 -0.547829
C 2.819010 1.400359 -0.220026
C 4.763430 -0.078883 -0.571509
C -3.553573 2.141277 0.923431
C -5.554856 0.620982 0.568113
C 3.551222 2.153688 0.907394
C 5.554267 0.637912 0.542859
C -5.085092 2.087225 0.716263
C 5.082097 2.103000 0.694677
C -1.190293 -1.877182 0.596928
C 1.201981 -1.873232 0.587634
C -0.002810 -0.736329 -1.307255
C 0.014365 -2.146441 2.721447
H -3.061485 -1.793273 -1.380674
H -2.346951 -0.359630 -2.217975
H 2.333594 -0.344094 -2.231212
H 3.060060 -1.777112 -1.403304
H -2.984814 1.921233 -1.176203
H -1.735141 1.366870 -0.023199
H -5.057965 -1.163097 -0.596521
H -5.032517 0.367462 -1.533642
H 1.731033 1.376581 -0.033658
H 2.975359 1.935484 -1.190405
H 5.025542 0.386335 -1.557522
H 5.057042 -1.145478 -0.622692
H -3.201255 3.190230 0.951263
H -3.292546 1.674712 1.893469
H -5.391879 0.082177 1.522068
H -6.637207 0.578505 0.338525
H 3.294564 1.685356 1.877749
H 3.196882 3.201887 0.937864
H 6.635949 0.597874 0.309727
H 5.395353 0.097480 1.496586
H -5.610754 2.578000 1.557404
H -5.349283 2.650239 -0.203145
H 5.341896 2.667804 -0.224888
H 5.609789 2.593655 1.534613
H -2.094653 -1.550957 1.140835
H -1.266040 -2.979475 0.384205
H 1.278720 -2.975064 0.373152
H 2.109342 -1.545135 1.125358
H 0.016119 -3.265313 2.715128
H -0.877600 -1.807511 3.276539
H 0.909410 -1.804586 3.269728


