%chk=000219776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219776

0 1
Cl -7.894848 0.456630 -0.004192
N 2.596362 -0.544189 0.033485
N -2.099666 -0.801680 0.022959
N 2.213274 -1.872083 0.070793
N 1.363985 1.653005 -0.036727
N -1.065057 1.374660 -0.049312
C 0.318845 -0.601782 0.026775
C 1.460513 0.280002 0.005835
C -0.971748 0.009647 -0.001039
C 3.995141 -0.184268 0.015921
C 0.868459 -1.928999 0.068489
C -3.479741 -0.417656 0.015218
C 4.380635 1.142275 0.268039
C 4.956228 -1.177412 -0.253123
C 0.095034 2.117905 -0.064057
C -4.408891 -1.467753 0.206708
C -3.929537 0.898570 -0.182671
C 5.738991 1.468724 0.243534
C 6.306764 -0.828081 -0.268561
C 6.702241 0.491517 -0.022545
C -5.774900 -1.195540 0.199966
C -5.299638 1.166346 -0.186986
C -6.204620 0.120377 0.003272
H 0.330330 -2.863728 0.095348
H -1.923893 -1.809408 0.081061
H 3.640692 1.920825 0.475926
H 4.651832 -2.208894 -0.443318
H -0.043621 3.213154 -0.101119
H -4.071640 -2.490859 0.362764
H -3.223063 1.723370 -0.332056
H 6.044220 2.497676 0.435401
H 7.056649 -1.591659 -0.475352
H 7.758111 0.755791 -0.038487
H -6.499218 -1.997828 0.347206
H -5.656727 2.186645 -0.338756


%chk=000219776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219776

0 1
Cl -8.041461 0.440119 0.038652
N 2.597570 -0.524884 -0.004528
N -2.101987 -0.761368 0.014884
N 2.239125 -1.886474 -0.000356
N 1.390462 1.652384 -0.002315
N -1.050604 1.390134 0.008395
C 0.331518 -0.597699 0.004850
C 1.461477 0.283123 -0.000869
C -0.962813 0.024472 0.009456
C 3.991334 -0.172228 -0.009900
C 0.884726 -1.919727 0.004167
C -3.479741 -0.407862 0.020069
C 4.386810 1.188787 -0.014211
C 4.958438 -1.207725 -0.010750
C 0.113937 2.114069 0.002787
C -4.414290 -1.480813 0.023736
C -3.954544 0.931463 0.021934
C 5.762875 1.502034 -0.019342
C 6.327860 -0.873153 -0.015839
C 6.739333 0.480323 -0.020212
C -5.800203 -1.230201 0.029331
C -5.343086 1.181910 0.027491
C -6.248774 0.104986 0.031205
H 0.391388 -2.891025 0.007309
H -1.924206 -1.767926 0.015007
H 3.627508 1.974037 -0.013264
H 4.627326 -2.248358 -0.007360
H -0.007376 3.201210 0.001640
H -4.062322 -2.520444 0.022084
H -3.232621 1.749038 0.018732
H 6.069116 2.553899 -0.022876
H 7.074968 -1.674342 -0.016279
H 7.804901 0.733651 -0.024271
H -6.514453 -2.058189 0.032055
H -5.710690 2.212080 0.028986


