%chk=000245078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245078

0 1
Cl 5.488590 -3.621127 -0.349594
N -3.902261 -0.355252 -0.058336
N 0.650093 1.007843 0.836020
N 4.569071 1.374298 -0.743814
C -3.048298 0.863575 0.205200
C -2.354769 0.698660 1.578979
C -1.963212 0.990367 -0.889366
C -0.363424 2.098066 0.771649
C -1.412299 1.866776 1.878260
C -1.033375 2.174730 -0.616905
C -4.980795 -0.498180 0.980636
C -4.532640 -0.312176 -1.422651
C -5.742076 -1.816859 0.765562
C -5.286250 -1.625827 -1.691398
C -6.368114 -1.869638 -0.632932
C 1.911767 1.131350 0.261128
C 2.745061 -0.050623 0.124611
C 2.438336 2.366310 -0.125551
C 4.067679 0.131636 -0.378981
C 2.316570 -1.367588 0.465909
C 3.765670 2.435156 -0.611538
C 4.935268 -1.001411 -0.527740
C 3.151000 -2.448999 0.319925
C 4.465333 -2.239377 -0.180875
H -3.662363 1.800440 0.216849
H -1.807613 -0.264345 1.599956
H -3.111594 0.619664 2.385331
H -2.430374 1.111794 -1.886840
H -1.385336 0.046939 -0.949572
H 0.165068 3.069999 0.974393
H -1.997993 2.798871 2.005484
H -0.904076 1.697809 2.849216
H -0.257373 2.227898 -1.406725
H -1.599807 3.123534 -0.689252
H -5.692439 0.355463 0.974269
H -4.503037 -0.514113 1.985328
H -3.727248 -0.196990 -2.181201
H -5.220594 0.551810 -1.545953
H -6.518314 -1.929538 1.543491
H -5.042855 -2.668047 0.891828
H -4.565293 -2.468294 -1.686523
H -5.730790 -1.598820 -2.702439
H -6.851462 -2.850002 -0.798939
H -7.169422 -1.112445 -0.722743
H 0.257028 0.069357 0.925928
H 1.857667 3.278399 -0.047912
H 1.305838 -1.515251 0.851126
H 4.187286 3.405355 -0.908194
H 5.944685 -0.838902 -0.912984
H 2.829586 -3.456793 0.578481


%chk=000245078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245078

0 1
Cl 5.808616 -3.587889 -0.289731
N -3.979409 -0.343044 0.000133
N 0.656329 0.951677 0.762767
N 4.538562 1.391675 -1.013424
C -3.062262 0.803582 0.307875
C -2.288006 0.507153 1.621787
C -2.044058 1.114129 -0.816277
C -0.344567 2.029697 0.898125
C -1.346156 1.668112 2.020373
C -1.111974 2.287393 -0.428696
C -5.192629 -0.300308 0.864184
C -4.372349 -0.495844 -1.427216
C -6.044250 -1.578055 0.726339
C -5.195477 -1.785524 -1.638827
C -6.454041 -1.800034 -0.745645
C 1.899517 1.091241 0.175523
C 2.804281 -0.049092 0.081144
C 2.361222 2.324590 -0.343750
C 4.105538 0.164971 -0.520243
C 2.474685 -1.360359 0.547897
C 3.661582 2.413229 -0.908498
C 5.019482 -0.934248 -0.625550
C 3.374324 -2.425877 0.438290
C 4.645595 -2.186797 -0.153594
H -3.664779 1.740532 0.465600
H -1.732051 -0.441249 1.471847
H -2.989795 0.315814 2.453506
H -2.565356 1.381466 -1.752938
H -1.438621 0.209391 -1.026614
H 0.192674 2.954110 1.190988
H -1.954744 2.567921 2.236315
H -0.796715 1.422574 2.949505
H -0.392900 2.473505 -1.247901
H -1.710630 3.213414 -0.306817
H -5.826680 0.590142 0.603960
H -4.882209 -0.177934 1.916650
H -3.464175 -0.549568 -2.049614
H -4.975308 0.382406 -1.784448
H -6.937705 -1.493411 1.374873
H -5.451777 -2.443316 1.081570
H -4.556646 -2.655186 -1.389951
H -5.471308 -1.866905 -2.708074
H -7.002922 -2.753722 -0.860318
H -7.142240 -0.989272 -1.063442
H 0.383287 0.033995 1.111181
H 1.739036 3.221999 -0.317707
H 1.500550 -1.572287 1.004953
H 4.006161 3.378612 -1.300143
H 5.993671 -0.742777 -1.081931
H 3.112726 -3.425133 0.796565


