%chk=000245728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245728

0 1
Cl 6.503823 -1.669763 -0.598443
S 1.343710 1.148002 1.486533
O -5.840499 -1.276500 -0.575919
O -6.005582 0.211417 0.983467
N -0.042714 1.262139 -0.886547
N -5.379651 -0.375303 0.111480
C -1.332312 0.799781 -0.584702
C 0.687471 2.106236 0.054721
C -1.924036 -0.244596 -1.348940
C -2.108110 1.436623 0.425062
C 0.807221 0.488652 -1.826909
C -3.237309 -0.620022 -1.121408
C -3.419234 1.054271 0.647074
C -3.995226 0.025467 -0.125028
C 2.792044 0.381516 0.843901
C 3.905507 1.150826 0.495847
C 2.813565 -1.014098 0.764980
C 5.064903 0.514461 0.042307
C 3.972210 -1.658376 0.320206
C 5.077579 -0.881396 -0.038526
H 0.018326 2.881435 0.501577
H 1.513950 2.638435 -0.463101
H -1.356182 -0.759503 -2.120132
H -1.677486 2.230033 1.034052
H 0.290847 0.386232 -2.798846
H 1.756384 1.016332 -2.019403
H 1.051908 -0.518625 -1.445732
H -3.700413 -1.422351 -1.708631
H -4.022541 1.542079 1.422398
H 3.885502 2.238049 0.585674
H 1.939356 -1.603661 1.052313
H 5.946067 1.094034 -0.234461
H 4.014222 -2.746328 0.256936


%chk=000245728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245728

0 1
Cl 6.253167 -2.076344 -0.547931
S 1.435900 1.681020 1.581811
O -5.814265 -1.403987 -0.624876
O -5.867626 -0.100336 1.251593
N 0.028561 1.233490 -0.916151
N -5.270033 -0.562189 0.197879
C -1.265307 0.780023 -0.621391
C 0.670150 2.251724 -0.126851
C -1.922823 -0.150031 -1.490537
C -1.969019 1.233036 0.542313
C 0.797121 0.600763 -2.008114
C -3.227457 -0.586385 -1.225063
C -3.274223 0.799133 0.806035
C -3.903665 -0.106822 -0.079807
C 2.804522 0.618617 0.957794
C 4.022632 1.199009 0.527028
C 2.648786 -0.788508 0.942002
C 5.077999 0.381347 0.061974
C 3.700126 -1.617850 0.487031
C 4.896107 -1.016357 0.047572
H -0.029171 3.044624 0.182900
H 1.504782 2.695374 -0.687402
H -1.418203 -0.521851 -2.385153
H -1.485039 1.897030 1.261633
H 0.349442 0.822779 -2.996036
H 1.826796 0.988192 -1.997957
H 0.849961 -0.495758 -1.880481
H -3.738114 -1.288687 -1.889272
H -3.814741 1.136711 1.694365
H 4.155076 2.285098 0.570655
H 1.710953 -1.233792 1.288586
H 6.022520 0.822220 -0.269279
H 3.588388 -2.705798 0.476932


