%chk=000217436.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217436

0 1
S -7.386937 0.416805 -1.843605
O 0.287924 0.832113 0.078844
N -5.785605 -0.050894 0.261348
C -4.568121 0.810775 0.100803
C -3.321065 -0.088926 0.152927
C -6.964257 0.709993 0.781507
C -6.190917 -0.715324 -0.987404
C -2.043826 0.751303 0.085795
C -7.719886 1.412455 -0.353022
C -0.802692 -0.137193 0.151125
C 3.313911 -1.302455 0.241143
C 3.887911 1.060339 0.059479
C 3.767195 -2.748893 0.351918
C 4.927927 2.164629 -0.026014
C 1.581283 0.361697 0.114150
C 4.274307 -0.288360 0.162851
C 1.946086 -0.983820 0.217277
C 2.533839 1.396206 0.034350
C 3.281142 -3.363427 1.670231
C 3.282188 -3.556475 -0.858229
C 5.785577 1.993637 -1.285740
C 5.788932 2.186604 1.242812
H -4.580142 1.407912 -0.836899
H -4.532476 1.541294 0.938273
H -3.343451 -0.821135 -0.677405
H -3.342534 -0.692390 1.083613
H -7.626220 -0.030156 1.289044
H -6.644665 1.428215 1.564003
H -6.714625 -1.663787 -0.746884
H -5.347131 -0.938734 -1.665325
H -2.010143 1.489639 0.913194
H -2.015040 1.356633 -0.843585
H -7.369576 2.445307 -0.518593
H -8.806668 1.453988 -0.170170
H -0.720821 -0.690123 1.101744
H -0.720884 -0.824374 -0.707301
H 4.888498 -2.777739 0.354605
H 4.402786 3.152979 -0.100743
H 5.331662 -0.536983 0.181365
H 1.208463 -1.773420 0.278403
H 2.194751 2.424583 -0.044657
H 2.188138 -3.420090 1.715902
H 3.668888 -4.379295 1.799345
H 3.611701 -2.767201 2.528899
H 3.613730 -3.097629 -1.797179
H 3.669794 -4.580213 -0.831186
H 2.189225 -3.619243 -0.895763
H 6.369373 1.066828 -1.259477
H 6.490767 2.823561 -1.399191
H 5.161280 1.959473 -2.186369
H 5.167018 2.289101 2.139866
H 6.493930 3.024267 1.227297
H 6.373259 1.266644 1.355627


%chk=000217436-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217436

0 1
S -7.286268 0.194271 -2.007715
O 0.299219 1.004831 0.118246
N -5.870512 -0.107851 0.363254
C -4.660268 0.743119 0.169166
C -3.352339 -0.068554 0.253886
C -7.093639 0.648332 0.725924
C -6.217269 -0.942667 -0.761077
C -2.108042 0.843198 0.153877
C -7.665786 1.352424 -0.553477
C -0.807210 0.037610 0.191579
C 3.308143 -1.265291 0.214622
C 3.989965 1.107301 0.067211
C 3.682886 -2.749107 0.296988
C 5.087829 2.172963 -0.009316
C 1.614317 0.502175 0.131783
C 4.313419 -0.276138 0.144623
C 1.943211 -0.869524 0.207728
C 2.632596 1.485403 0.061914
C 3.183350 -3.396756 1.615995
C 3.169619 -3.541021 -0.935201
C 5.940640 2.021330 -1.297460
C 5.989203 2.157639 1.253762
H -4.702854 1.286287 -0.804051
H -4.661023 1.501370 0.974487
H -3.321805 -0.822450 -0.558600
H -3.347766 -0.628054 1.209427
H -7.844661 -0.066985 1.108514
H -6.867905 1.376145 1.523928
H -6.889704 -1.761967 -0.468727
H -5.343502 -1.315132 -1.311711
H -2.099732 1.569476 0.989222
H -2.136029 1.431027 -0.783820
H -7.174625 2.321380 -0.740372
H -8.755524 1.494960 -0.481534
H -0.731354 -0.549318 1.131567
H -0.750547 -0.663825 -0.667849
H 4.790033 -2.809342 0.294428
H 4.589025 3.162185 -0.053206
H 5.364844 -0.590287 0.151121
H 1.159142 -1.631703 0.261348
H 2.338531 2.539074 0.003753
H 2.078616 -3.387704 1.670643
H 3.515144 -4.449800 1.682892
H 3.569021 -2.853552 2.497392
H 3.551972 -3.105832 -1.875967
H 3.494284 -4.597163 -0.882297
H 2.064618 -3.529937 -0.982971
H 6.477742 1.054613 -1.307063
H 6.694907 2.827919 -1.361922
H 5.307251 2.064356 -2.201736
H 5.391203 2.299194 2.171974
H 6.744356 2.964247 1.202176
H 6.527082 1.195829 1.345638


