%chk=000214952.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214952

0 1
Cl 3.472920 4.950959 0.959263
S 1.795143 -0.458548 -1.630868
N -0.570513 0.328644 0.477271
N -3.410508 0.604192 -0.093749
C 0.687190 0.576622 1.264932
C -1.611536 -0.339540 1.330585
C -1.138857 1.606169 -0.072422
C -2.841967 -0.667878 0.462395
C -2.372164 1.281345 -0.939122
C 1.390006 -0.747995 1.662398
C 1.672294 1.412034 0.469104
C 1.166931 -1.905932 0.736072
C -4.646731 0.327508 -0.899746
C 2.242256 0.973236 -0.729130
C 2.063347 2.657123 0.994920
C 1.319061 -1.834649 -0.649775
C 0.798241 -3.143326 1.306516
C 3.200996 1.751309 -1.401415
C -5.781948 -0.016724 0.027270
C 3.004676 3.421386 0.310377
C 1.093920 -2.961934 -1.460662
C 3.586229 2.987752 -0.885506
C 0.582561 -4.264992 0.510459
C 0.726915 -4.173781 -0.880634
C -6.788690 -0.815134 -0.319877
H 0.452500 1.121219 2.224002
H -1.920270 0.283545 2.198070
H -1.193853 -1.288503 1.728935
H -0.373715 2.093367 -0.715190
H -1.418343 2.330169 0.723370
H -2.554656 -1.395300 -0.329149
H -3.618476 -1.153150 1.091305
H -2.800662 2.228639 -1.329554
H -2.058075 0.668675 -1.813283
H 1.068498 -1.016469 2.690895
H 2.485820 -0.567654 1.751185
H -4.921840 1.258001 -1.451951
H -4.498559 -0.460367 -1.670932
H 1.632734 3.024202 1.926891
H 0.681467 -3.223101 2.386114
H 3.654066 1.393900 -2.330402
H -5.727695 0.461289 1.009269
H 1.205428 -2.899677 -2.545468
H 4.326401 3.601224 -1.398582
H 0.300778 -5.212412 0.966154
H 0.554059 -5.047712 -1.505549
H -7.616296 -1.039441 0.336863
H -6.871586 -1.304093 -1.278648


%chk=000214952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214952

0 1
Cl 3.703317 4.936470 1.098550
S 1.664462 -0.467082 -1.776488
N -0.633921 0.415426 0.477845
N -3.469374 0.688185 -0.118452
C 0.639167 0.602091 1.221594
C -1.665938 -0.297809 1.274558
C -1.194751 1.682247 -0.058166
C -2.911720 -0.575883 0.419671
C -2.438336 1.397595 -0.914221
C 1.265039 -0.761656 1.668218
C 1.665360 1.413794 0.433187
C 1.135744 -1.946994 0.718038
C -4.726323 0.480600 -0.881010
C 2.215835 0.983845 -0.803769
C 2.145416 2.620666 1.000364
C 1.320793 -1.915231 -0.689950
C 0.839466 -3.209951 1.304583
C 3.201667 1.766645 -1.456382
C -5.871084 0.048139 0.012233
C 3.120390 3.384685 0.335685
C 1.203453 -3.103751 -1.459855
C 3.658494 2.979279 -0.898809
C 0.725326 -4.394042 0.549924
C 0.906284 -4.337468 -0.850406
C -6.699773 -0.995530 -0.239716
H 0.452695 1.176965 2.168745
H -1.965668 0.301425 2.172560
H -1.259791 -1.263559 1.618868
H -0.434172 2.176444 -0.686645
H -1.474878 2.385595 0.767223
H -2.628013 -1.279064 -0.404376
H -3.681645 -1.070900 1.038534
H -2.860992 2.356054 -1.270584
H -2.123339 0.801009 -1.807419
H 0.813054 -1.057233 2.632598
H 2.333823 -0.569037 1.886879
H -4.986277 1.454151 -1.346243
H -4.600966 -0.256196 -1.715662
H 1.739416 2.961513 1.958318
H 0.696926 -3.251213 2.392073
H 3.626398 1.417963 -2.403498
H -6.013601 0.665491 0.911434
H 1.354945 -3.058243 -2.544684
H 4.421206 3.576853 -1.405559
H 0.497872 -5.343989 1.044890
H 0.823057 -5.241020 -1.463786
H -7.534927 -1.240860 0.425903
H -6.566624 -1.632220 -1.123794


