%chk=000216613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216613

0 1
S -1.040158 2.216289 -0.052584
N -1.492398 -0.862154 -0.141028
N 1.465350 1.416337 0.011050
N 2.194842 -0.939618 0.039534
N -3.812145 -0.662502 0.062490
N 3.760635 0.835409 0.024165
C -0.167202 -0.397712 -0.003084
C 0.195168 0.964898 0.005273
C 0.902793 -1.349535 0.025946
C -2.473688 1.334013 0.617248
C -2.511970 -0.086099 0.123015
C 0.647953 -2.814069 0.046302
C 2.445558 0.428970 0.019970
H -3.370855 1.923567 0.339431
H -2.445705 1.335322 1.730803
H 1.573732 -3.406509 -0.008370
H 0.110249 -3.103718 0.963839
H -0.001800 -3.107038 -0.796371
H -3.840696 -1.606778 -0.316660
H -4.525105 -0.078047 -0.353665
H 4.501820 0.154733 0.018023
H 3.989921 1.814943 -0.002824


%chk=000216613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216613

0 1
S -1.096998 2.277392 -0.159027
N -1.492611 -0.891181 -0.178086
N 1.478112 1.408233 -0.052528
N 2.207751 -0.921118 0.088555
N -3.803617 -0.589056 -0.244817
N 3.755061 0.842477 -0.009547
C -0.180759 -0.399174 -0.012720
C 0.197838 0.978274 -0.045936
C 0.908076 -1.331298 0.070222
C -2.451423 1.260452 0.690593
C -2.535739 -0.121709 0.056820
C 0.640875 -2.813914 0.127334
C 2.440460 0.431197 0.008202
H -3.379815 1.843013 0.583754
H -2.191193 1.176865 1.759623
H 1.595484 -3.361475 0.132899
H 0.059992 -3.074958 1.030903
H 0.026204 -3.127559 -0.735154
H -3.888009 -1.514899 -0.662431
H -4.637644 -0.037580 -0.066464
H 4.489219 0.142088 0.037942
H 3.965034 1.834633 -0.067636


