%chk=000198308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198308

0 1
Cl -3.845332 -0.039392 2.679002
S 2.703988 0.044487 -1.897488
P 3.116539 -0.122126 -0.048963
O 4.704120 -0.065587 0.354454
O 2.744735 -1.399722 0.881659
O 2.743881 1.301936 0.881156
O -2.621834 1.458009 0.543055
N 0.763037 0.366026 0.329527
N -0.539434 0.331204 0.221767
C -3.343910 0.005038 -1.306264
C -3.283416 0.303637 0.066951
C 5.504655 0.996851 -0.264187
C 1.950392 -2.478745 0.282949
C -4.155742 -1.075329 -1.692776
C -3.981396 -0.448524 1.020849
C 1.397389 1.453725 0.877599
C -2.567227 0.791477 -2.300340
C -1.254708 1.411302 0.659721
C -4.864464 -1.820092 -0.746468
C -4.785952 -1.514261 0.617162
C 0.714563 2.592726 1.367342
C -0.662260 2.567100 1.251319
C 6.880858 0.763069 0.329186
C 2.843467 -3.392342 -0.530737
H 5.497360 0.870206 -1.364600
H 5.086808 1.979768 0.024616
H 1.579874 -2.963836 1.210736
H 1.090655 -2.078745 -0.290211
H -4.227124 -1.336979 -2.748564
H -2.994265 0.745195 -3.310062
H -1.530697 0.408990 -2.366231
H -2.494525 1.853309 -2.021205
H -5.486888 -2.654153 -1.072875
H -5.336988 -2.098033 1.353544
H 1.262329 3.425967 1.805560
H -1.298781 3.384481 1.593052
H 7.605690 1.499791 -0.033157
H 6.851676 0.817265 1.426979
H 7.254131 -0.240088 0.079224
H 2.400611 -4.391464 -0.627944
H 3.017941 -3.020475 -1.550857
H 3.827944 -3.517264 -0.056281


%chk=000198308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198308

0 1
Cl -3.824678 0.131711 2.830908
S 3.339060 -0.079502 -2.210028
P 3.509341 -0.207956 -0.159546
O 5.050935 0.032113 0.548426
O 3.140343 -1.642307 0.687924
O 2.715597 1.155080 0.746238
O -2.725367 1.525734 0.401990
N 0.646588 0.236323 0.157735
N -0.721992 0.306303 0.063930
C -3.699528 0.020537 -1.293288
C -3.489181 0.365691 0.065061
C 5.858059 1.211257 0.106231
C 2.162015 -2.622821 0.100518
C -4.573579 -1.060083 -1.567038
C -4.129016 -0.342529 1.102682
C 1.343404 1.287255 0.665216
C -2.993985 0.779283 -2.396444
C -1.338356 1.435953 0.492932
C -5.212750 -1.771377 -0.527108
C -4.993964 -1.416473 0.822539
C 0.732106 2.489896 1.120786
C -0.658525 2.565114 1.032195
C 7.252884 0.999938 0.685543
C 2.900903 -3.685481 -0.710711
H 5.867170 1.246358 -1.000534
H 5.379477 2.127015 0.499442
H 1.677360 -3.042173 0.997481
H 1.409917 -2.068744 -0.487518
H -4.750268 -1.344109 -2.610229
H -3.407008 0.516076 -3.384142
H -1.914904 0.535999 -2.397075
H -3.084534 1.871389 -2.257632
H -5.885130 -2.602753 -0.762437
H -5.480559 -1.956103 1.639656
H 1.342051 3.301918 1.521691
H -1.224936 3.438828 1.361564
H 7.902891 1.851654 0.411983
H 7.211082 0.930271 1.785477
H 7.702099 0.072800 0.292176
H 2.181657 -4.458223 -1.042540
H 3.372198 -3.244255 -1.605610
H 3.678822 -4.175204 -0.100248


