%chk=000187722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187722

0 1
Cl 1.935326 3.527560 1.096840
Cl 0.815402 3.516540 -1.520033
S -1.193483 -1.133144 1.496278
O -2.131586 -0.767441 2.546709
O -0.525108 -2.417854 1.561090
N -0.004833 0.102875 1.452990
C -0.580815 2.326635 0.593155
C 0.486260 3.322431 0.171462
C -0.821176 3.827785 0.726388
C -0.429008 1.467645 1.839734
C 1.459506 -0.174137 1.513813
C 1.900493 -0.764354 0.180392
C 1.838565 -1.049861 2.710918
C -2.005895 -0.953681 -0.023085
C 2.323264 0.112205 -0.831749
C 1.899569 -2.144718 -0.060387
C -3.356273 -0.584264 -0.030529
C -1.336754 -1.186266 -1.226986
C 2.750597 -0.389195 -2.063682
C 2.331198 -2.643935 -1.292741
C -4.035830 -0.441751 -1.242573
C -2.015742 -1.042959 -2.442265
C 2.759376 -1.768697 -2.295296
C -3.363565 -0.671707 -2.449081
H -1.099447 1.791574 -0.222199
H -1.534716 4.323700 0.066625
H -0.841178 4.294564 1.712344
H -1.409411 1.439235 2.382989
H 0.288270 1.920748 2.562385
H 1.987739 0.815700 1.642161
H 1.365869 -2.046824 2.671916
H 1.539345 -0.591361 3.659202
H 2.921329 -1.216006 2.745844
H 2.316723 1.189777 -0.660460
H 1.539395 -2.833959 0.712839
H -3.882547 -0.409223 0.916274
H -0.280345 -1.480383 -1.232058
H 3.080083 0.296463 -2.842220
H 2.333597 -3.718481 -1.468295
H -5.086654 -0.156883 -1.248274
H -1.492056 -1.223338 -3.380094
H 3.100247 -2.158979 -3.251869
H -3.893628 -0.562235 -3.395974


%chk=000187722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187722

0 1
Cl 2.282704 3.594619 2.074994
Cl 0.987221 4.750576 -0.441442
S -1.311501 -0.955699 1.361466
O -2.528176 -0.343293 2.273398
O -0.598637 -2.364734 1.773991
N -0.037586 0.505521 1.150097
C -0.452553 2.920813 1.272421
C 0.692107 3.914663 1.177651
C -0.519122 4.306307 1.992559
C -0.383426 1.623079 2.071400
C 1.406794 0.061418 1.158569
C 1.722061 -0.759107 -0.097610
C 1.905722 -0.549301 2.489703
C -2.010214 -1.145092 -0.385820
C 1.629158 -0.121267 -1.362530
C 2.133167 -2.113566 -0.045780
C -3.134565 -0.371252 -0.714873
C -1.413234 -2.075188 -1.249031
C 1.939709 -0.817983 -2.549321
C 2.444955 -2.815528 -1.233738
C -3.685597 -0.536933 -2.006473
C -1.981705 -2.226479 -2.535297
C 2.350224 -2.171585 -2.488560
C -3.108166 -1.458338 -2.912492
H -1.043432 2.828255 0.354308
H -1.187701 5.072074 1.590549
H -0.401259 4.319374 3.080884
H -1.383681 1.418662 2.505453
H 0.331798 1.717861 2.911790
H 1.924601 1.037537 1.031847
H 1.415092 -1.511977 2.703286
H 1.702587 0.135263 3.332279
H 2.998980 -0.701145 2.446091
H 1.306382 0.925836 -1.408589
H 2.199894 -2.628436 0.916693
H -3.577128 0.306027 0.022356
H -0.546032 -2.662001 -0.931590
H 1.867583 -0.308628 -3.516769
H 2.763205 -3.862691 -1.177079
H -4.565799 0.045611 -2.298001
H -1.540205 -2.941988 -3.236425
H 2.600360 -2.714143 -3.407458
H -3.542481 -1.583341 -3.910406


