%chk=000191305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191305

0 1
Cl -0.165303 4.709054 -0.123251
Cl -1.240472 -0.181821 -2.218719
S 1.756070 2.423303 0.020619
N 2.058125 -0.276793 0.427227
N -0.665822 -1.471146 1.453577
N 2.870824 -2.291178 1.028447
N 3.751068 -1.731123 0.168965
N 5.090376 -0.201041 -1.956396
C 1.172562 0.800919 0.326901
C -0.194078 0.782238 0.494280
C 1.826663 -1.452904 1.213930
C -1.004415 -0.424689 0.777424
C 0.641441 -1.659459 2.094147
C 3.301812 -0.516641 -0.231173
C -0.782006 2.096864 0.363552
C -2.387623 -0.411847 0.217279
C 3.974064 0.409681 -1.200059
C 0.130832 3.071510 0.105250
C -2.598243 -0.302136 -1.165050
C -3.501164 -0.529726 1.061952
C -3.882121 -0.292394 -1.712580
C -4.791992 -0.517124 0.525283
C -4.982350 -0.398043 -0.855678
H 0.648346 -2.728762 2.454883
H 0.729031 -1.023159 3.011320
H -1.852019 2.257271 0.459420
H 3.227497 0.798430 -1.938307
H 4.376319 1.297824 -0.649696
H -3.352210 -0.644048 2.137254
H 4.766672 -1.007039 -2.488734
H 5.810678 -0.544165 -1.321372
H -4.021780 -0.209553 -2.790807
H -5.653316 -0.608827 1.186839
H -5.991368 -0.392677 -1.269028


%chk=000191305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191305

0 1
Cl -0.086337 4.918762 0.090151
Cl -1.287388 0.331808 -2.396229
S 1.895368 2.538331 0.191648
N 2.078802 -0.255607 0.481154
N -0.648119 -1.411287 1.491299
N 2.788023 -2.282751 1.184061
N 3.694873 -1.793574 0.185523
N 4.973068 -0.451849 -2.049974
C 1.234170 0.861617 0.409949
C -0.155906 0.854188 0.549043
C 1.837004 -1.353206 1.345766
C -0.979717 -0.375868 0.748493
C 0.642572 -1.374642 2.248091
C 3.258085 -0.586945 -0.224013
C -0.731455 2.181571 0.459553
C -2.345001 -0.418963 0.123935
C 3.929285 0.255482 -1.299967
C 0.204538 3.170282 0.273105
C -2.628854 -0.092022 -1.225902
C -3.437651 -0.839268 0.932624
C -3.933296 -0.145600 -1.754654
C -4.750507 -0.897701 0.425403
C -5.001854 -0.541003 -0.919648
H 0.698859 -2.280920 2.868873
H 0.666462 -0.482367 2.912262
H -1.804392 2.368767 0.526522
H 3.160519 0.623279 -2.006719
H 4.378496 1.157586 -0.839915
H -3.219761 -1.125713 1.966037
H 4.599064 -1.242500 -2.588253
H 5.732123 -0.780999 -1.441466
H -4.105066 0.103206 -2.805682
H -5.572076 -1.220622 1.072695
H -6.017834 -0.580673 -1.326065


