%chk=000213685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213685

0 1
S 2.687914 1.966176 0.433857
S 3.256075 -0.911331 0.806771
N -1.896645 -0.372638 0.013632
N 0.958777 0.023077 -0.175642
C -1.299872 0.992681 0.244128
C 0.402210 -1.373691 -0.290292
C -0.940451 -1.431853 0.479362
C -0.000426 1.077369 -0.605311
C -2.257941 2.094524 -0.217404
C 0.255906 -1.759862 -1.760811
C -3.203250 -0.539540 0.717128
C 2.183313 0.259830 0.314834
H -1.040806 1.158292 1.323081
H 1.113272 -2.096640 0.205722
H -1.409454 -2.422892 0.286118
H -0.736810 -1.381496 1.572103
H -0.242772 0.910495 -1.683433
H 0.423532 2.100794 -0.538972
H -1.762892 3.071888 -0.247126
H -2.654642 1.889372 -1.221075
H -3.116856 2.192791 0.456651
H 1.177411 -1.565868 -2.324499
H 0.034909 -2.829530 -1.860101
H -0.565550 -1.216871 -2.249072
H -3.947206 0.127054 0.250631
H -3.177814 -0.334008 1.797333
H -3.569301 -1.568579 0.568259
H 3.935569 1.756357 0.930726


%chk=000213685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213685

0 1
S 2.788544 2.015776 0.253236
S 3.402265 -1.006455 0.558814
N -1.918219 -0.374838 0.036316
N 0.944183 0.033905 -0.096996
C -1.358952 0.985665 0.276910
C 0.382052 -1.349733 -0.225367
C -0.966135 -1.404571 0.522717
C -0.006149 1.110108 -0.467039
C -2.297061 2.102849 -0.218070
C 0.281408 -1.770165 -1.707454
C -3.266909 -0.581566 0.606463
C 2.262269 0.223501 0.217169
H -1.160015 1.134302 1.372076
H 1.098300 -2.014377 0.289325
H -1.411547 -2.402976 0.358553
H -0.770673 -1.295034 1.620261
H -0.195419 1.067470 -1.557814
H 0.435260 2.091144 -0.232135
H -1.783728 3.080542 -0.172990
H -2.600033 1.914265 -1.264154
H -3.206326 2.182301 0.400712
H 1.253468 -1.633048 -2.211952
H 0.013699 -2.840406 -1.770617
H -0.496573 -1.194942 -2.237588
H -3.996661 0.093277 0.130810
H -3.308365 -0.420950 1.713099
H -3.587407 -1.618004 0.400073
H 4.074924 1.687860 0.632240


