%chk=000228002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228002

0 1
Cl -7.444451 2.035101 0.295410
S -3.508704 -1.451322 -0.680468
O 7.597136 0.793492 -0.309144
O -0.928142 1.539655 1.256526
N 4.810633 0.268368 0.041671
N 1.183785 0.082684 1.051523
C 3.347473 0.558758 -0.084681
C 5.505134 1.329398 0.844277
C 5.454716 0.149946 -1.308549
C 2.651477 -0.044148 1.158638
C 6.985842 0.942683 0.988362
C 6.937501 -0.206048 -1.112167
C 0.385290 -0.815942 0.382791
C -1.024198 -0.574204 0.223994
C -1.776645 -1.577493 -0.421066
C -1.234017 -2.757572 -0.915888
C 0.949292 -2.024647 -0.138884
C -1.616709 0.670828 0.713528
C -3.072917 0.953777 0.578230
C 0.159817 -2.961706 -0.762248
C -3.986333 0.084712 -0.016062
C -2.065299 -3.796379 -1.593083
C -3.544827 2.183736 1.091960
C -5.350207 0.398721 -0.115535
C -4.890772 2.523450 1.007995
C -5.774374 1.618836 0.402012
H 3.110212 1.639341 -0.177869
H 2.940729 0.076556 -1.001210
H 5.030147 1.381898 1.846406
H 5.424492 2.339813 0.387705
H 5.368428 1.078596 -1.912832
H 4.945999 -0.661874 -1.870815
H 2.957461 -1.110044 1.283526
H 2.977096 0.480158 2.085075
H 7.586496 1.749964 1.442529
H 7.111006 0.003274 1.555224
H 7.061155 -1.192584 -0.631442
H 7.505598 -0.163939 -2.057825
H 0.774247 0.980646 1.381875
H 2.018670 -2.203264 -0.027510
H 0.605353 -3.881030 -1.148738
H -1.469434 -4.659562 -1.919057
H -2.847356 -4.192632 -0.926510
H -2.560501 -3.401681 -2.493992
H -2.824347 2.866499 1.559924
H -6.059628 -0.287145 -0.581997
H -5.254623 3.471324 1.403991


%chk=000228002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228002

0 1
Cl -7.620139 2.086085 0.404305
S -3.620016 -1.520950 -0.695737
O 7.713780 0.803295 -0.240691
O -0.932917 1.600081 1.266358
N 4.864451 0.249520 -0.013438
N 1.171538 0.193569 0.934752
C 3.411372 0.490532 -0.164029
C 5.533837 1.242283 0.869957
C 5.567863 0.184324 -1.323463
C 2.621226 0.101203 1.115899
C 7.015019 0.871957 1.052808
C 7.045336 -0.181095 -1.108398
C 0.392033 -0.764361 0.325573
C -1.054762 -0.558968 0.189352
C -1.811093 -1.605350 -0.444048
C -1.231982 -2.802185 -0.931389
C 0.967089 -1.973338 -0.172281
C -1.656636 0.682480 0.697562
C -3.119004 0.959069 0.591990
C 0.169718 -2.951237 -0.774444
C -4.067273 0.080298 0.009723
C -2.054285 -3.890524 -1.595720
C -3.590809 2.197162 1.116707
C -5.443688 0.417376 -0.051188
C -4.946285 2.554532 1.068948
C -5.855950 1.647115 0.479379
H 3.178715 1.553062 -0.426134
H 3.046232 -0.133168 -1.001111
H 5.044156 1.248891 1.860900
H 5.461213 2.274772 0.442907
H 5.510592 1.159674 -1.868959
H 5.084910 -0.587924 -1.951933
H 2.925807 -0.917778 1.421222
H 2.887838 0.778209 1.946875
H 7.547713 1.641992 1.634922
H 7.089615 -0.108175 1.571612
H 7.115480 -1.191703 -0.651047
H 7.602807 -0.163265 -2.059439
H 0.632359 1.027006 1.253481
H 2.042616 -2.141763 -0.078246
H 0.640074 -3.870695 -1.143086
H -1.408534 -4.730053 -1.902981
H -2.830752 -4.295103 -0.917413
H -2.577628 -3.521058 -2.499169
H -2.845287 2.862157 1.562138
H -6.168829 -0.266254 -0.502299
H -5.295819 3.507300 1.474877


