%chk=000222258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222258

0 1
Cl 0.405633 -3.683004 -0.106149
N -2.248509 0.707705 0.030341
N 2.452950 0.900277 0.017680
N -1.846167 2.030703 0.063828
N -1.051846 -1.505764 -0.032288
N 1.393391 -1.259589 -0.043663
C 0.030601 0.733906 0.023226
C -1.124412 -0.130440 0.005075
C 1.316824 0.110395 -0.001635
C -3.652394 0.366301 0.015101
C -0.500573 2.068312 0.060949
C 3.832752 0.496565 0.011063
C -4.054395 -0.960436 0.238103
C -4.601359 1.378910 -0.222989
C 0.218569 -1.975600 -0.056013
C -5.417462 -1.267198 0.216387
C -5.956693 1.048778 -0.236556
C 4.771360 1.540269 0.177944
C 4.265251 -0.825567 -0.160527
C -6.368839 -0.270731 -0.018880
C 6.133158 1.243349 0.171544
C 5.636411 -1.099146 -0.162189
C 6.571919 -0.075022 0.002086
H 0.050988 2.995521 0.084933
H 2.293829 1.911958 0.065188
H -3.324971 -1.755831 0.421726
H -4.284240 2.410352 -0.391481
H -5.735286 -2.296412 0.385820
H -6.697244 1.827350 -0.419562
H 4.447489 2.569160 0.313523
H 3.553269 -1.647637 -0.290329
H -7.428414 -0.519955 -0.033044
H 6.859790 2.045483 0.300536
H 5.972836 -2.128334 -0.294306
H 7.636283 -0.299628 -0.001042


%chk=000222258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222258

0 1
Cl 0.379056 -3.754524 -0.004323
N -2.246685 0.695768 -0.003757
N 2.458983 0.862707 0.012479
N -1.873082 2.055202 0.000543
N -1.064150 -1.491398 -0.004092
N 1.369274 -1.262489 0.004969
C 0.020220 0.745187 0.004025
C -1.120533 -0.120485 -0.001579
C 1.307862 0.105987 0.007159
C -3.644385 0.356600 -0.008495
C -0.518217 2.072193 0.005087
C 3.834906 0.484397 0.016695
C -4.054681 -0.999966 -0.013170
C -4.599409 1.403024 -0.008353
C 0.200162 -1.944675 -0.000085
C -5.434238 -1.297499 -0.017670
C -5.972485 1.083919 -0.012854
C 4.779276 1.548213 0.020126
C 4.289276 -0.860962 0.017909
C -6.398951 -0.264853 -0.017565
C 6.160641 1.273356 0.024782
C 5.677428 -1.117615 0.022592
C 6.620056 -0.064532 0.026075
H -0.013061 3.037273 0.008771
H 2.302895 1.873224 0.013386
H -3.308202 -1.797004 -0.012992
H -4.256682 2.439865 -0.004712
H -5.751728 -2.345890 -0.021412
H -6.710496 1.893448 -0.012583
H 4.432494 2.590461 0.019011
H 3.561336 -1.672634 0.014896
H -7.467234 -0.506286 -0.021128
H 6.876012 2.102794 0.027282
H 6.021288 -2.157829 0.023556
H 7.693554 -0.279978 0.029827


