%chk=000218443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218443

0 1
S -0.018799 0.581207 1.253380
O -0.847112 1.687263 -2.491049
O -0.055626 -0.860282 -2.149575
O -6.237803 -0.155034 0.034067
N 1.825889 -0.249711 -1.001507
N 3.275748 -3.232476 0.357727
C -0.855347 1.567795 -0.047082
C -0.054844 1.412406 -1.350598
C 2.446715 -1.583632 -1.272119
C 0.531085 -0.009418 -1.503834
C 2.423701 0.568163 0.015835
C -2.256968 1.048014 -0.059731
C 1.657864 1.069320 1.085367
C 2.028396 -2.650159 -0.235773
C 3.794215 0.884018 -0.058480
C 2.238650 1.879339 2.061584
C -3.305825 1.922625 0.299331
C -2.557572 -0.278861 -0.398092
C 4.369810 1.687589 0.926139
C 3.599693 2.186638 1.984136
C -4.622618 1.486140 0.318795
C -3.876202 -0.742454 -0.387142
C 3.086110 -4.675991 0.689431
C 3.693858 -2.472861 1.573372
C -4.896695 0.144865 -0.027027
C -6.647126 -1.501786 -0.307949
H -0.842585 2.649127 0.240483
H 0.745948 2.192130 -1.424480
H 2.128481 -1.904343 -2.292106
H 3.554204 -1.471607 -1.302438
H 1.336754 -2.221315 0.521163
H 1.443361 -3.440608 -0.753794
H 4.399200 0.506630 -0.883093
H 1.634742 2.266557 2.885461
H -3.082465 2.957566 0.563078
H -1.760366 -0.973653 -0.685405
H -1.512711 0.961003 -2.637291
H 5.431403 1.932893 0.866648
H 4.060841 2.814677 2.744388
H -5.442351 2.147108 0.591076
H -4.084865 -1.772825 -0.655615
H 2.291493 -4.884256 1.420337
H 4.032299 -5.078945 1.085484
H 2.864402 -5.230438 -0.236766
H 3.828770 -1.410928 1.310433
H 4.671193 -2.852212 1.910970
H 2.991094 -2.527567 2.417802
H -6.389463 -1.724935 -1.347299
H -7.735650 -1.444745 -0.176050
H -6.204927 -2.221237 0.387011


%chk=000218443-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218443

0 1
S 0.063253 1.262248 1.655543
O -0.750439 1.905957 -2.397612
O 0.099610 -0.632347 -1.999001
O -6.047076 -0.725687 -0.306026
N 1.877068 0.037699 -0.647235
N 2.602356 -3.626115 0.105036
C -0.894206 1.820313 0.069172
C 0.022714 1.659584 -1.192995
C 2.493223 -1.312913 -0.798796
C 0.666827 0.262356 -1.290289
C 2.513247 1.018188 0.192435
C -2.221006 1.089265 0.009654
C 1.801158 1.691268 1.228594
C 1.862315 -2.346946 0.168345
C 3.886572 1.314482 -0.008294
C 2.474231 2.638156 2.037461
C -3.404958 1.838468 -0.233726
C -2.336592 -0.314920 0.153350
C 4.551821 2.244995 0.815356
C 3.846309 2.909517 1.845367
C -4.658393 1.211170 -0.336181
C -3.587276 -0.961610 0.057338
C 1.750823 -4.818536 0.283027
C 3.793947 -3.652414 0.975003
C -4.753510 -0.195504 -0.191214
C -6.197875 -2.177200 -0.178541
H -1.081602 2.900575 0.189624
H 0.799353 2.442270 -1.159285
H 2.340764 -1.658372 -1.833905
H 3.574493 -1.225940 -0.606579
H 1.832983 -1.923791 1.202203
H 0.819052 -2.517264 -0.149762
H 4.423748 0.826682 -0.828810
H 1.910151 3.151186 2.822801
H -3.337966 2.925571 -0.355010
H -1.442597 -0.912957 0.354977
H -1.120687 1.021186 -2.678563
H 5.611266 2.462049 0.642532
H 4.354432 3.638109 2.485448
H -5.570968 1.783694 -0.526601
H -3.638772 -2.048023 0.174736
H 1.305934 -4.903405 1.306855
H 2.348468 -5.729936 0.098357
H 0.926298 -4.799481 -0.450700
H 4.442548 -2.783179 0.766377
H 4.382719 -4.565396 0.773996
H 3.540247 -3.634552 2.065528
H -5.625079 -2.711780 -0.961110
H -7.273124 -2.366634 -0.311215
H -5.877803 -2.529291 0.821536


