%chk=000269832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269832

0 1
Cl 10.907231 -0.207628 2.326272
Cl -10.904922 0.228375 2.327401
S 5.407075 -0.187232 1.896388
S -5.404886 0.204509 1.896208
O 3.437472 -1.024454 -2.196221
O -3.436482 1.004133 -2.204357
N 3.486265 -0.106894 -0.064549
N -3.484602 0.105976 -0.064431
N 5.846481 -0.091825 -0.710522
N -5.844998 0.084616 -0.709572
C 1.370427 -0.239075 -1.240694
C -1.369132 0.227451 -1.242393
C 7.068929 -0.170380 1.357263
C -7.066885 0.182436 1.357720
C 7.111094 -0.133305 -0.066462
C -7.109440 0.132014 -0.065584
C 4.864594 -0.124695 0.154388
C -4.862875 0.125696 0.154714
C 0.484872 -1.324009 -1.244838
C -0.892890 -1.089194 -1.241796
C 0.894180 1.077526 -1.251892
C -0.483579 1.312306 -1.256647
C 2.848336 -0.509201 -1.285150
C -2.847052 0.497169 -1.288836
C 8.227500 -0.191412 2.122235
C -8.225247 0.210518 2.122782
C 8.344840 -0.125493 -0.736750
C -8.343369 0.117797 -0.735427
C 9.438511 -0.180358 1.425488
C -9.436449 0.192814 1.426504
C 9.512718 -0.149523 0.022396
C -9.511040 0.148824 0.023785
H 0.867714 -2.347237 -1.263780
H -1.590215 -1.929508 -1.257301
H 1.591503 1.917661 -1.275227
H -0.866433 2.335317 -1.284759
H 2.905150 0.226774 0.711876
H -2.903257 -0.220577 0.714843
H 8.201294 -0.217336 3.211572
H -8.198744 0.246652 3.211821
H 8.371243 -0.102458 -1.827913
H -8.370073 0.084535 -1.826318
H 10.487668 -0.144848 -0.469531
H -10.486125 0.139443 -0.467808


%chk=000269832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269832

0 1
Cl 11.621804 0.510981 0.904798
Cl -11.619910 -0.502484 0.913170
S 6.021516 1.303780 1.354880
S -6.019520 -1.289716 1.371956
O 3.193183 -1.894856 -0.752738
O -3.192342 1.890278 -0.760589
N 3.729340 0.215618 0.153112
N -3.727498 -0.215239 0.157264
N 5.889298 -0.651608 -0.534255
N -5.887575 0.643909 -0.539380
C 1.385385 -0.327338 -0.344417
C -1.383998 0.325309 -0.344995
C 7.547857 0.560053 0.723090
C -7.545972 -0.553394 0.731809
C 7.252233 -0.454970 -0.250409
C -7.250466 0.450618 -0.253071
C 5.120205 0.135620 0.169971
C -5.118402 -0.135326 0.173627
C 0.405786 -1.352393 -0.363756
C -0.964279 -1.032074 -0.360677
C 0.965631 1.029962 -0.366333
C -0.404433 1.350271 -0.369965
C 2.830185 -0.760070 -0.354808
C -2.828824 0.757812 -0.356576
C 8.868983 0.875543 1.089096
C -8.867066 -0.864853 1.101386
C 8.313049 -1.165149 -0.858540
C -8.311355 1.153842 -0.869117
C 9.894102 0.142543 0.458311
C -9.892254 -0.139062 0.462443
C 9.642254 -0.865404 -0.501633
C -9.640516 0.858042 -0.508796
H 0.745224 -2.392350 -0.399603
H -1.693684 -1.848812 -0.420347
H 1.694924 1.846477 -0.430434
H -0.743880 2.390049 -0.410594
H 3.316213 1.027372 0.616348
H -3.314081 -1.023891 0.625657
H 9.105130 1.646214 1.826461
H -9.103119 -1.627165 1.847421
H 8.084220 -1.937980 -1.597014
H -8.082620 1.918334 -1.616252
H 10.476353 -1.403697 -0.959237
H -10.474682 1.391103 -0.972363


