%chk=000186063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186063

1 1
Cl -5.581690 1.853517 -0.129208
N 0.865025 -0.308439 -0.033306
C 0.378543 -1.293355 1.041174
C 0.906798 1.097695 0.585197
C 2.255636 -0.736860 -0.526461
C -0.098415 -0.311701 -1.236639
C 0.321215 -2.750557 0.575640
C 1.930451 1.245281 1.715087
C 2.891823 0.249261 -1.511725
C -1.463853 0.234092 -0.926830
C -0.405591 -3.615070 1.620819
C 1.775921 2.616939 2.395053
C 4.181243 -0.345680 -2.103641
C -2.474624 -0.616266 -0.449911
C -1.750439 1.586770 -1.178959
C -0.469779 -5.072591 1.180177
C 2.798574 2.795100 3.511106
C 4.841834 0.628983 -3.071492
C -3.754076 -0.117939 -0.199216
C -3.026405 2.094054 -0.932343
C -4.016830 1.235842 -0.438810
H -0.631240 -0.960261 1.386054
H 1.048234 -1.204598 1.931806
H -0.115627 1.343591 0.966125
H 1.120283 1.837839 -0.220091
H 2.169075 -1.742175 -1.003862
H 2.922803 -0.873159 0.357176
H 0.375795 0.269802 -2.068809
H -0.180588 -1.361561 -1.617302
H 1.339874 -3.160525 0.417292
H -0.199794 -2.844442 -0.400045
H 2.967436 1.146715 1.333175
H 1.808733 0.447137 2.476900
H 3.133533 1.211701 -1.014989
H 2.193283 0.499015 -2.338079
H -1.432388 -3.233389 1.792243
H 0.110932 -3.547171 2.600400
H 0.752990 2.728989 2.808876
H 1.894667 3.430567 1.650837
H 3.961907 -1.297345 -2.629068
H 4.893634 -0.601967 -1.292945
H -2.277421 -1.677082 -0.284792
H -0.986050 2.250550 -1.584524
H -0.988977 -5.687595 1.930021
H -1.013177 -5.201723 0.236653
H 0.526440 -5.513327 1.050424
H 2.685832 3.776589 3.994554
H 2.690313 2.041922 4.300838
H 3.830707 2.742900 3.143778
H 5.764092 0.201280 -3.491610
H 4.195126 0.876631 -3.921803
H 5.125916 1.570883 -2.586511
H -4.545910 -0.776266 0.169095
H -3.256497 3.144801 -1.130432


%chk=000186063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186063

1 1
Cl -5.935722 1.612684 -0.030141
N 0.821075 -0.277174 -0.070489
C 0.318249 -1.307873 0.971254
C 0.923972 1.108050 0.616062
C 2.192816 -0.736789 -0.626251
C -0.187096 -0.168419 -1.274962
C 0.251043 -2.774968 0.513058
C 1.975909 1.246581 1.730096
C 2.949484 0.266787 -1.513193
C -1.592228 0.268152 -0.921493
C -0.420250 -3.639262 1.613982
C 1.983284 2.704611 2.264141
C 4.280910 -0.364354 -2.002589
C -2.593726 -0.683916 -0.589911
C -1.960005 1.638301 -1.002833
C -0.475671 -5.132139 1.228010
C 3.016342 2.902053 3.393160
C 5.092100 0.606415 -2.886125
C -3.917185 -0.282852 -0.313714
C -3.278634 2.056904 -0.729635
C -4.242338 1.088180 -0.379461
H -0.678446 -0.952994 1.285171
H 0.999532 -1.223093 1.833911
H -0.083315 1.322592 1.011337
H 1.131579 1.833367 -0.189746
H 1.996007 -1.661155 -1.195536
H 2.804038 -1.007349 0.252313
H 0.281596 0.548229 -1.967433
H -0.177066 -1.163813 -1.747062
H 1.262221 -3.178595 0.320563
H -0.328157 -2.887094 -0.423491
H 2.989261 1.001970 1.359667
H 1.761821 0.568602 2.577310
H 3.183296 1.195035 -0.959452
H 2.354150 0.552668 -2.401160
H -1.446423 -3.264762 1.803662
H 0.137107 -3.523634 2.564905
H 0.973059 2.966973 2.636667
H 2.205190 3.402314 1.431685
H 4.063936 -1.289868 -2.572340
H 4.890960 -0.666255 -1.127723
H -2.355843 -1.753875 -0.568688
H -1.221290 2.391194 -1.303146
H -0.961066 -5.725076 2.022152
H -1.050158 -5.287074 0.296040
H 0.537792 -5.545935 1.074371
H 3.006517 3.943908 3.756886
H 2.799617 2.244791 4.255212
H 4.041460 2.678634 3.044512
H 6.030657 0.135968 -3.226070
H 4.522086 0.903764 -3.785454
H 5.359916 1.525697 -2.333499
H -4.685691 -1.020534 -0.066715
H -3.557374 3.111829 -0.800715


