%chk=000230794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230794

0 1
S -1.742495 1.840819 -0.074744
O 4.229158 1.408363 -1.334296
N -0.256819 -0.334373 0.431277
N 3.692485 2.843758 0.335161
C 2.197467 -0.370109 0.212794
C 0.958535 -1.011600 0.512566
C 2.152957 1.013496 -0.163337
C 0.951477 1.670818 -0.260207
C -0.239032 0.932789 0.049084
C 3.401515 -1.134192 0.290859
C 0.943067 -2.387943 0.907795
C 3.361953 -2.453590 0.668943
C 2.122536 -3.084370 0.984705
C 3.438331 1.734769 -0.468477
C -3.070922 0.696887 0.095704
C -3.226047 -0.068094 1.252632
C -4.004947 0.653946 -0.943172
C -4.352835 -0.889384 1.374728
C -5.131962 -0.162621 -0.805810
C -5.304457 -0.932509 0.350494
H 0.883315 2.713618 -0.571819
H 4.347221 -0.655232 0.022269
H -0.019546 -2.850169 1.132753
H 4.277413 -3.042204 0.726588
H 2.130782 -4.133366 1.282315
H -2.475484 -0.042482 2.044434
H -3.863441 1.241885 -1.850788
H -4.485843 -1.495829 2.269003
H -5.872031 -0.203677 -1.603207
H -6.181612 -1.570576 0.450847
H 3.092425 3.129898 1.087753
H 4.540735 3.374274 0.203753


%chk=000230794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230794

0 1
S -1.727354 1.979259 -0.186247
O 4.548990 1.285594 -0.882447
N -0.252854 -0.328699 0.271684
N 3.574437 3.045009 0.270687
C 2.239168 -0.410127 0.212198
C 0.940170 -1.035227 0.384027
C 2.252536 1.011744 -0.062592
C 1.036828 1.693294 -0.178679
C -0.191445 0.970380 -0.006733
C 3.414884 -1.217397 0.341998
C 0.860328 -2.430937 0.680092
C 3.306780 -2.580830 0.634691
C 2.025850 -3.191927 0.805088
C 3.550638 1.765950 -0.265414
C -3.081475 0.755192 0.074280
C -3.241158 0.106967 1.319537
C -3.999270 0.539500 -0.977702
C -4.331641 -0.770786 1.508562
C -5.096568 -0.330640 -0.775714
C -5.262660 -0.987696 0.464833
H 1.006568 2.756226 -0.439409
H 4.392966 -0.757708 0.179824
H -0.135871 -2.867100 0.799275
H 4.212761 -3.189479 0.726766
H 1.960615 -4.261936 1.031134
H -2.520008 0.280085 2.123237
H -3.853764 1.038535 -1.941095
H -4.455730 -1.279115 2.471054
H -5.811426 -0.497285 -1.588886
H -6.110661 -1.664480 0.617925
H 2.827535 3.399845 0.865149
H 4.414728 3.606789 0.133477


