%chk=000191117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191117

0 1
S 3.743813 -2.800574 0.986284
N -2.442449 -0.384833 1.110824
N 1.777489 -1.200077 -0.833399
N -4.857539 -1.170401 -0.299737
N -0.292990 -0.721041 0.126919
N -1.227406 1.527981 0.358922
N 2.287867 1.768455 -0.834265
C -2.766908 -1.821809 0.870930
C -3.682369 0.445915 1.175977
C -3.616129 -1.999245 -0.405137
C -4.538215 0.277452 -0.095854
C 1.484067 -2.641335 -0.550836
C 3.239633 -0.943453 -0.953620
C 0.892749 -0.237831 -0.345997
C -1.312784 0.163928 0.480663
C 1.950393 -3.048635 0.842152
C 3.949009 -1.098177 0.386031
C 1.091814 1.211154 -0.428606
C -0.025963 2.033276 -0.070609
C 0.121699 3.463633 -0.169440
C 1.315440 3.984204 -0.582375
C 2.392224 3.089447 -0.906254
H -3.334096 -2.176910 1.762689
H -1.836260 -2.427361 0.809422
H -3.424399 1.517898 1.333625
H -4.250352 0.106458 2.072628
H -3.000613 -1.759902 -1.299410
H -3.929998 -3.061807 -0.497127
H -5.501419 0.818156 0.031682
H -4.014944 0.740519 -0.960842
H 1.987646 -3.245679 -1.340382
H 0.388516 -2.830059 -0.663049
H 3.425479 0.072161 -1.384665
H 3.643880 -1.661127 -1.707060
H -5.406852 -1.275986 -1.160455
H 1.415307 -2.475547 1.626190
H 1.753385 -4.119642 1.039222
H 5.036844 -0.914843 0.290356
H 3.570315 -0.373014 1.132044
H -0.734099 4.086942 0.096072
H 1.473587 5.057681 -0.670582
H 3.356328 3.496228 -1.230837


%chk=000191117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191117

0 1
S 3.949649 -3.151127 0.886469
N -2.525176 -0.291665 0.564529
N 1.925347 -1.108947 -0.618428
N -5.127531 -1.321236 0.101967
N -0.268453 -0.617005 -0.011501
N -1.217144 1.626624 0.195200
N 2.395397 1.862027 -0.766161
C -2.760721 -1.745523 0.638671
C -3.706055 0.543031 0.864647
C -3.947123 -2.131146 -0.272619
C -4.882543 0.131661 -0.046362
C 1.565388 -2.547549 -0.553377
C 3.382468 -0.863587 -0.748621
C 0.964261 -0.149911 -0.343790
C -1.302353 0.264397 0.234844
C 2.058051 -3.203924 0.750020
C 4.140070 -1.298615 0.520901
C 1.181987 1.308829 -0.422269
C 0.021007 2.130377 -0.131960
C 0.190290 3.553505 -0.204701
C 1.429998 4.091443 -0.554252
C 2.513289 3.205261 -0.831878
H -3.011159 -2.019636 1.683781
H -1.837759 -2.262141 0.338335
H -3.426202 1.596282 0.715078
H -3.999823 0.384915 1.922124
H -3.635334 -1.978547 -1.335974
H -4.182697 -3.201897 -0.131228
H -5.789560 0.684328 0.259387
H -4.632341 0.424241 -1.096206
H 2.031523 -3.052400 -1.421063
H 0.469637 -2.626111 -0.622509
H 3.535995 0.212586 -0.930209
H 3.751668 -1.444766 -1.615740
H -5.989416 -1.631368 -0.362666
H 1.619752 -2.703852 1.629771
H 1.797045 -4.275448 0.772826
H 5.224491 -1.141377 0.394061
H 3.792862 -0.728286 1.399397
H -0.678253 4.180307 0.018525
H 1.582081 5.173957 -0.616871
H 3.499086 3.594492 -1.110053


