%chk=000179753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179753

0 1
Cl 4.903659 -1.109731 -1.798849
S -0.803611 -1.597980 0.671501
O -2.323716 0.918184 2.046363
N -0.599296 1.839209 0.900651
N 0.704113 3.630860 1.426108
C -3.190908 -0.638118 -0.364827
C -1.729142 -0.195838 -0.034907
C -3.152346 -1.562974 -1.593326
C -3.840736 -1.362094 0.818578
C -3.996710 0.630121 -0.705122
C -1.637905 0.841669 1.054910
C 0.788581 -1.403440 -0.055983
C 0.330985 2.019568 -0.162380
C -0.309175 2.874757 1.851894
C 1.040682 -1.967389 -1.309944
C 1.791313 -0.755091 0.670214
C 1.109242 3.110532 0.176554
C 2.323566 -1.877341 -1.857664
C 3.078364 -0.662392 0.130074
C 3.321102 -1.224766 -1.126012
H -1.255807 0.149729 -0.985628
H -2.564803 -2.469817 -1.406659
H -2.734777 -1.067951 -2.474832
H -4.163441 -1.894292 -1.860245
H -3.760681 -0.776755 1.748342
H -3.395320 -2.344537 1.012165
H -4.908983 -1.531120 0.642283
H -4.128189 1.275742 0.172768
H -5.004274 0.372342 -1.052866
H -3.529343 1.224998 -1.494812
H 0.358684 1.381891 -1.024660
H -0.873335 2.975567 2.771482
H 0.249719 -2.480652 -1.860420
H 1.581278 -0.319392 1.650911
H 1.921041 3.566690 -0.365058
H 2.544923 -2.311312 -2.832821
H 3.875948 -0.159876 0.679219


%chk=000179753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179753

0 1
Cl 4.936756 -1.283794 -2.177905
S -0.707564 -1.522808 0.967592
O -2.587808 1.193287 2.002875
N -0.689507 1.988595 0.927590
N 0.511643 3.859773 1.421012
C -3.178449 -0.662405 -0.320661
C -1.767355 -0.138766 0.098791
C -2.991001 -1.688502 -1.470505
C -3.944573 -1.338162 0.846872
C -3.997316 0.549470 -0.856778
C -1.751935 1.030784 1.079681
C 0.876000 -1.408357 0.035635
C 0.355279 2.069057 -0.029123
C -0.532921 3.108224 1.779458
C 0.933594 -1.668715 -1.356041
C 2.063227 -1.121197 0.751090
C 1.071030 3.212624 0.289753
C 2.170271 -1.621327 -2.037371
C 3.308428 -1.091953 0.082757
C 3.340354 -1.335470 -1.304193
H -1.199745 0.109955 -0.812669
H -2.383493 -2.550190 -1.138893
H -2.504979 -1.226734 -2.352458
H -3.976348 -2.070629 -1.792494
H -4.100401 -0.638025 1.682656
H -3.396419 -2.221295 1.223804
H -4.930027 -1.685085 0.484647
H -4.219774 1.274574 -0.055364
H -4.959476 0.190311 -1.265058
H -3.463195 1.075767 -1.671759
H 0.510188 1.331293 -0.809086
H -1.212639 3.288584 2.606776
H 0.023721 -1.926251 -1.907970
H 2.015371 -0.910164 1.823614
H 1.948550 3.617598 -0.208583
H 2.222894 -1.821374 -3.111394
H 4.228321 -0.869693 0.630703


