%chk=000191085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191085

0 1
Cl -8.620376 0.745503 -1.977286
S -0.876444 0.547358 0.897921
O 2.984973 1.551353 2.868608
O 3.570658 -3.157540 -0.658786
O -2.827162 -1.927453 -0.013492
N 2.048556 -1.502053 -1.014827
N 4.657890 2.090409 -0.107021
N 6.137072 0.173375 -0.179475
N 2.587373 2.105386 -1.217075
C 0.803526 -0.853412 -0.644384
C 0.672475 -0.222510 0.539323
C 2.950404 -0.792482 -1.969004
C 1.714469 -0.070576 1.590011
C 3.953745 0.039799 -1.229788
C -1.621958 -0.590976 2.123094
C -0.272603 -0.969403 -1.668475
C -3.121802 -0.521269 1.901893
C 1.724740 1.330985 2.226157
C 3.721639 1.387827 -0.842633
C 2.489862 -2.674609 -0.372616
C -3.515074 -1.108859 0.558476
C 5.188235 -0.521445 -0.855061
C -4.804260 -0.634072 -0.035427
C 5.842927 1.469115 0.175148
C -4.918180 -0.626207 -1.435831
C -5.886951 -0.226240 0.757323
C 6.866141 2.234678 0.939493
C -6.097456 -0.195083 -2.046854
C -7.075431 0.199393 0.159751
C -7.159272 0.212582 -1.235694
H 3.472914 -1.568863 -2.585027
H 2.344217 -0.185269 -2.675407
H 2.732239 -0.284532 1.188887
H 1.573038 -0.833014 2.387038
H -1.339799 -0.273223 3.142795
H -1.240340 -1.620577 1.970193
H 0.042684 -1.515112 -2.568605
H -1.142740 -1.526310 -1.257114
H -0.658364 0.007230 -1.990621
H -3.485839 0.525528 1.996108
H -3.646644 -1.086116 2.705317
H 1.538834 2.131921 1.491551
H 1.003735 1.417071 3.060827
H 1.780814 -3.108054 0.347461
H 5.421350 -1.575312 -1.089796
H -4.075548 -0.966915 -2.044871
H -5.817169 -0.245555 1.845379
H 3.678014 1.777253 2.210129
H 2.465662 3.028180 -0.813817
H 1.729077 1.598924 -1.376370
H -6.189846 -0.181926 -3.133334
H -7.922906 0.515054 0.768829
H 7.808653 2.303557 0.370613
H 7.111276 1.728894 1.888377
H 6.535668 3.258991 1.172390


%chk=000191085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191085

0 1
Cl -9.761067 0.995153 -0.602729
S -0.877540 0.314019 0.910109
O 3.063063 2.340871 2.287890
O 3.984832 -3.217990 0.075843
O -3.293456 -1.126617 -1.199961
N 2.474893 -1.584910 -0.671783
N 4.877476 2.090375 -0.064205
N 6.519393 0.313708 0.143298
N 2.966500 1.887662 -1.380318
C 1.152980 -0.990529 -0.531794
C 0.863229 -0.264158 0.598714
C 3.458861 -1.091899 -1.687615
C 1.867173 0.221434 1.626935
C 4.418587 -0.092321 -1.066427
C -1.785353 -1.343754 1.167832
C 0.194873 -1.327298 -1.655611
C -3.293172 -1.072374 1.238644
C 1.791827 1.774366 1.847528
C 4.087020 1.285119 -0.850763
C 2.866963 -2.636210 0.151726
C -3.939012 -0.871008 -0.141233
C 5.664927 -0.503051 -0.554260
C -5.363549 -0.405396 -0.209311
C 6.063718 1.577578 0.396773
C -5.949090 -0.212544 -1.491254
C -6.150357 -0.162893 0.949617
C 6.900255 2.472051 1.274755
C -7.283485 0.214146 -1.622012
C -7.490400 0.261171 0.835811
C -8.036118 0.444721 -0.450548
H 4.026299 -1.968546 -2.046371
H 2.898817 -0.670555 -2.542136
H 2.889200 -0.037377 1.301006
H 1.702022 -0.277214 2.600780
H -1.411213 -1.782054 2.106165
H -1.552121 -1.998903 0.315531
H 0.674243 -1.153964 -2.639301
H -0.078572 -2.400306 -1.636044
H -0.734096 -0.738334 -1.602581
H -3.504099 -0.204619 1.892944
H -3.794017 -1.940415 1.717521
H 1.437001 2.265956 0.916370
H 1.072736 2.006906 2.649218
H 2.076956 -2.915462 0.882612
H 5.986978 -1.542148 -0.682619
H -5.334144 -0.406066 -2.376038
H -5.731695 -0.303957 1.950922
H 3.687003 2.438973 1.508958
H 2.831963 2.881263 -1.199145
H 2.224468 1.358361 -1.828839
H -7.733243 0.365132 -2.607374
H -8.098771 0.447039 1.725152
H 7.872151 1.996511 1.470915
H 6.386630 2.647524 2.238963
H 7.048224 3.458235 0.802142


