%chk=000230643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230643

0 1
S 2.188228 1.424812 0.144633
N -2.755995 0.856119 -0.221855
N -1.464926 -1.283749 -0.440812
N -0.982203 2.289190 0.103758
N 0.947174 -0.918719 -0.254832
C -1.603911 0.068651 -0.249655
C -0.496394 0.984148 -0.055196
C -4.149916 0.375610 -0.300499
C 0.792995 0.406091 -0.071301
C -2.315850 2.196907 0.013851
C -0.178447 -1.719832 -0.428528
C 0.067585 -3.195334 -0.616366
C 3.599975 0.275516 0.046187
C -4.789206 0.299097 1.081971
C 4.848883 1.125518 0.241432
C 0.188221 -3.892573 0.736500
C 6.108101 0.261244 0.176500
H -4.724351 1.058728 -0.967307
H -4.146646 -0.634248 -0.783078
H -3.014852 3.018232 0.091158
H -0.760949 -3.643619 -1.207188
H 0.996313 -3.344896 -1.209569
H 3.598333 -0.247936 -0.929223
H 3.505298 -0.512705 0.817710
H -4.241837 -0.390303 1.741224
H -5.821547 -0.066465 1.016488
H -4.813710 1.273282 1.584947
H 4.907439 1.919649 -0.532595
H 4.814881 1.653520 1.217749
H 1.013668 -3.475424 1.328747
H 0.378386 -4.964362 0.610248
H -0.730605 -3.784448 1.326927
H 6.202019 -0.246076 -0.790871
H 7.009554 0.869130 0.316612
H 6.109792 -0.511655 0.954032


%chk=000230643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230643

0 1
S 2.181413 1.606796 0.154318
N -2.814505 0.981050 -0.245447
N -1.550015 -1.142804 -0.404792
N -1.058651 2.442994 0.046489
N 0.862786 -0.790649 -0.210364
C -1.652841 0.204999 -0.250358
C -0.574033 1.127597 -0.072076
C -4.194002 0.468987 -0.355837
C 0.725294 0.553887 -0.058025
C -2.393547 2.307939 -0.059623
C -0.254808 -1.584803 -0.376432
C -0.010524 -3.071713 -0.509240
C 3.561938 0.302066 0.079249
C -4.721168 -0.091236 0.980637
C 4.918756 1.010656 0.225583
C 0.427709 -3.706954 0.836275
C 6.084704 -0.003185 0.169536
H -4.831078 1.295616 -0.717949
H -4.192408 -0.323838 -1.124228
H -3.103463 3.132083 -0.015713
H -0.938831 -3.544866 -0.871293
H 0.783803 -3.234793 -1.260883
H 3.464835 -0.224264 -0.883752
H 3.376744 -0.420799 0.889912
H -4.092135 -0.931735 1.319061
H -5.753992 -0.461862 0.852131
H -4.725583 0.685104 1.765765
H 5.038410 1.760434 -0.580276
H 4.951902 1.562984 1.184630
H 1.346154 -3.220826 1.209245
H 0.629237 -4.785730 0.708253
H -0.361520 -3.592585 1.601062
H 6.093037 -0.549583 -0.791927
H 7.056899 0.511101 0.275599
H 6.004982 -0.748969 0.982268


