%chk=000238612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238612

0 1
Cl 4.564284 3.032466 -0.507086
S 0.709409 -1.767146 0.475534
O 1.499609 -2.979309 0.360282
O -0.040674 -1.512488 1.693205
N -2.565740 -2.525238 -0.433569
N -3.909198 -2.421852 -0.178951
C -0.377233 -1.710271 -0.929495
C 1.774605 -0.417004 0.195181
C -1.796022 -1.474121 -0.515661
C -2.192077 -0.065491 -0.241172
C 1.353892 0.885087 0.479098
C 3.067595 -0.654795 -0.281684
C -2.620650 0.755958 -1.292914
C -2.159189 0.427026 1.071185
C 2.214100 1.965436 0.261210
C 3.942742 0.411970 -0.505850
C 3.496166 1.707145 -0.231214
C -3.009073 2.072732 -1.029606
C -2.549793 1.743470 1.327245
C -2.974476 2.566698 0.278674
H -0.305357 -2.674274 -1.496475
H -0.073771 -0.950396 -1.678042
H 0.349769 1.070275 0.879952
H 3.402966 -1.683133 -0.473700
H -2.659326 0.364536 -2.308926
H -1.809023 -0.221800 1.886359
H 1.894355 2.984796 0.476852
H 4.951924 0.236705 -0.878647
H -3.343530 2.712787 -1.844715
H -2.525721 2.126677 2.346719
H -3.281162 3.591754 0.481291
H -4.259476 -3.312582 0.181787
H -4.231426 -1.641317 0.397132


%chk=000238612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238612

0 1
Cl 4.619912 3.266627 -0.372519
S 0.815475 -1.928000 0.380902
O 1.814573 -3.210084 0.147571
O 0.004526 -1.726390 1.796114
N -2.679390 -2.581615 -0.234922
N -3.875247 -2.377503 0.357388
C -0.643902 -1.874309 -1.195514
C 1.910220 -0.389074 0.152607
C -1.925069 -1.530775 -0.596597
C -2.290170 -0.099631 -0.325410
C 1.428670 0.864308 0.568098
C 3.186538 -0.578272 -0.403087
C -2.516002 0.807099 -1.394615
C -2.406617 0.367099 1.014745
C 2.265031 1.992190 0.404737
C 4.024902 0.548894 -0.562244
C 3.544222 1.812267 -0.161641
C -2.858039 2.153242 -1.134074
C -2.753737 1.713193 1.271352
C -2.981247 2.608753 0.199536
H -0.538068 -2.914798 -1.532174
H -0.174070 -1.121992 -1.843316
H 0.438159 0.964486 1.023429
H 3.518612 -1.585915 -0.675632
H -2.431407 0.453805 -2.429146
H -2.174078 -0.317572 1.838168
H 1.929006 2.985396 0.715062
H 5.028379 0.444300 -0.984090
H -3.029417 2.843342 -1.967575
H -2.833063 2.064558 2.306247
H -3.248167 3.652087 0.401182
H -4.396232 -3.214873 0.600780
H -4.235806 -1.446543 0.598635


