%chk=000189369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189369

0 1
Cl -0.656265 4.958484 0.690474
N -2.006677 0.098104 -0.043161
N 2.553964 1.311261 -0.678706
N 0.264312 0.644836 -0.414191
N -1.340961 2.372746 0.282820
N 1.009800 2.957675 -0.041456
C -3.428400 0.343835 0.291267
C -4.305691 0.407587 -0.990236
C -3.949094 -0.751920 1.257431
C -4.445879 -0.970917 -1.679478
C -4.093856 -2.133377 0.571040
C -4.979815 -2.040836 -0.695467
C 3.097338 -0.015536 -1.089031
C -1.013321 1.060158 -0.057927
C 2.844945 -1.069839 0.017348
C 2.503176 -0.412929 -2.465452
C 4.633909 0.183925 -1.232622
C 1.240418 1.613711 -0.379358
C 2.523553 -2.415494 -0.283477
C 3.017017 -0.706903 1.378326
C -0.281379 3.221690 0.258252
C 2.375387 -3.372968 0.746767
C 2.867837 -1.657937 2.409485
C 2.547695 -3.000192 2.098303
H -3.449738 1.327525 0.788721
H -3.880722 1.155574 -1.685092
H -5.311134 0.772093 -0.696514
H -4.944309 -0.430842 1.624528
H -3.282529 -0.817600 2.137910
H -3.460650 -1.292754 -2.076903
H -5.119854 -0.885213 -2.553098
H -4.521810 -2.860256 1.287553
H -3.094684 -2.533004 0.293961
H -6.013422 -1.772110 -0.393706
H -5.038297 -3.027136 -1.194965
H -1.699846 -0.845341 -0.287779
H 3.186513 2.114413 -0.654932
H 2.679045 0.404134 -3.187246
H 2.988771 -1.322044 -2.861465
H 1.418136 -0.584968 -2.383802
H 5.108543 -0.768406 -1.520946
H 4.860078 0.934348 -2.013868
H 5.083226 0.509407 -0.277119
H 2.372471 -2.727625 -1.321457
H 3.246690 0.334908 1.632187
H 2.123464 -4.409038 0.492064
H 2.997578 -1.352903 3.454146
H 2.431568 -3.741425 2.896970


%chk=000189369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189369

0 1
Cl -0.773050 4.871209 0.457793
N -1.968310 -0.024185 0.090806
N 2.471949 1.251342 -0.789682
N 0.241848 0.541732 -0.405844
N -1.382686 2.257483 0.239029
N 0.916521 2.883592 -0.209332
C -3.372431 0.217822 0.496520
C -4.262262 0.601625 -0.717909
C -3.924320 -1.042802 1.207832
C -4.470281 -0.582434 -1.691033
C -4.139141 -2.230183 0.234952
C -5.038417 -1.822476 -0.956881
C 3.042134 -0.086143 -1.118714
C -1.019579 0.946175 -0.030462
C 2.874582 -1.057821 0.076514
C 2.404072 -0.612600 -2.430640
C 4.563627 0.149316 -1.345940
C 1.173044 1.533080 -0.467697
C 2.629108 -2.440167 -0.108835
C 3.053115 -0.577876 1.399669
C -0.359796 3.124718 0.120454
C 2.559948 -3.318919 0.996866
C 2.982243 -1.450376 2.505975
C 2.736685 -2.829540 2.310023
H -3.351872 1.071171 1.197395
H -3.811172 1.468981 -1.233306
H -5.245341 0.933821 -0.325661
H -4.899279 -0.773179 1.659189
H -3.251644 -1.330335 2.038604
H -3.501868 -0.845773 -2.164368
H -5.148722 -0.278684 -2.510990
H -4.587570 -3.080687 0.782912
H -3.164371 -2.597616 -0.151942
H -6.054518 -1.586533 -0.577784
H -5.147590 -2.669799 -1.660979
H -1.649057 -0.975745 -0.101126
H 3.079823 2.071979 -0.840656
H 2.506609 0.153943 -3.218833
H 2.914705 -1.526550 -2.780942
H 1.333863 -0.826583 -2.280418
H 5.058408 -0.807910 -1.578536
H 4.730618 0.840974 -2.193455
H 5.040856 0.564647 -0.439923
H 2.476471 -2.843277 -1.114917
H 3.227202 0.491990 1.564850
H 2.366174 -4.385034 0.830685
H 3.115251 -1.055493 3.519664
H 2.681525 -3.509980 3.167176


