%chk=000215010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215010

0 1
Cl 6.705770 3.097468 -0.290730
S -2.163785 -0.525312 -0.117577
S 0.790584 0.004015 -0.199511
N -0.231050 -2.423917 -0.280383
N -1.834890 -5.608920 0.672909
C -3.425718 3.351792 0.168552
C -4.854989 3.901276 0.263601
C -3.425300 1.817245 0.077052
C -4.861010 5.433774 0.356163
C -1.998758 1.287442 -0.015764
C -6.281069 5.986750 0.450433
C -0.519310 -1.182789 -0.214409
C 2.318031 -0.987004 -0.309413
C 3.407869 0.029380 -0.304708
C 3.970518 0.454505 0.911294
C 3.875786 0.567413 -1.516101
C 4.993330 1.405191 0.921507
C 4.898170 1.518631 -1.517668
C -1.150411 -3.506996 -0.325375
C 5.441673 1.922790 -0.295999
C -2.031495 -3.710698 -1.402147
C -1.079664 -4.487520 0.697878
C -2.804813 -4.872540 -1.425123
C -2.681894 -5.795713 -0.373896
H -2.914678 3.783635 -0.713928
H -2.838178 3.678290 1.048776
H -5.369046 3.471449 1.145123
H -5.445599 3.577348 -0.615118
H -3.944448 1.394287 0.962778
H -4.021062 1.499540 -0.804107
H -4.349531 5.866973 -0.525764
H -4.274013 5.760651 1.236925
H -1.402756 1.574126 0.872371
H -1.477505 1.681831 -0.909238
H -6.276153 7.080641 0.517527
H -6.880144 5.715399 -0.426313
H -6.805216 5.607209 1.335049
H 2.306118 -1.615303 -1.223896
H 2.377351 -1.699442 0.539158
H 3.607853 0.043955 1.854405
H 3.439448 0.244695 -2.462046
H 5.433603 1.737634 1.861692
H 5.265252 1.938347 -2.454311
H -2.104430 -2.977605 -2.205307
H -0.403028 -4.365264 1.551618
H -3.494719 -5.059819 -2.245297
H -3.271696 -6.718642 -0.353183


%chk=000215010-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215010

0 1
Cl 7.267749 2.679400 -0.361166
S -2.334105 -0.495004 -0.590130
S 0.696745 0.196266 -0.433027
N -0.240773 -2.356947 -0.337899
N -1.235906 -5.830568 0.449543
C -3.626237 3.460857 0.152210
C -5.050407 4.056121 0.231319
C -3.633950 1.941340 -0.147831
C -5.059948 5.571836 0.536132
C -2.206707 1.372464 -0.221127
C -6.485684 6.159346 0.610939
C -0.587864 -1.116342 -0.439916
C 2.262153 -0.891297 -0.184794
C 3.483549 -0.009302 -0.227540
C 3.997809 0.576096 0.958645
C 4.146055 0.248167 -1.456094
C 5.147454 1.395606 0.928560
C 5.297067 1.064217 -1.506812
C -1.027710 -3.523797 -0.380220
C 5.779421 1.626234 -0.308746
C -2.177330 -3.709613 -1.200154
C -0.598521 -4.630975 0.411720
C -2.837101 -4.956693 -1.175288
C -2.345179 -5.983170 -0.337564
H -3.049602 3.991406 -0.633474
H -3.097637 3.646428 1.110082
H -5.629540 3.523091 1.013877
H -5.579413 3.873078 -0.727233
H -4.205606 1.413156 0.640226
H -4.160235 1.759547 -1.105833
H -4.479341 6.104550 -0.244434
H -4.532961 5.754571 1.494868
H -1.671736 1.489891 0.735483
H -1.625057 1.843822 -1.030463
H -6.465629 7.242929 0.828475
H -7.024183 6.016361 -0.344961
H -7.076926 5.666152 1.405479
H 2.234656 -1.641539 -0.988578
H 2.124595 -1.400628 0.780795
H 3.498461 0.389791 1.916336
H 3.761259 -0.193397 -2.382391
H 5.543508 1.841429 1.845300
H 5.807914 1.256309 -2.454477
H -2.529967 -2.907342 -1.856324
H 0.296335 -4.523659 1.035035
H -3.720161 -5.131585 -1.798400
H -2.834318 -6.962405 -0.292647


