%chk=000253344.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253344

0 1
S -0.145914 1.688218 0.001663
S -3.028270 1.244852 -0.836113
O 2.155995 -2.603664 -1.400003
O 5.247454 2.669475 -0.041388
N 2.232526 0.633339 0.282588
N -1.677963 -0.473955 0.612480
C 2.548832 -0.803087 0.022084
C 3.429020 1.418821 0.708553
C 1.057309 0.833933 1.130007
C 1.521267 -1.370988 -0.969721
C 4.079330 1.987577 -0.564375
C -1.555242 0.687627 0.028470
C -3.854085 -0.218088 -0.355778
C -2.975975 -1.024969 0.420506
C -5.155330 -0.621657 -0.633231
C -3.414870 -2.257713 0.927056
C 1.331681 -3.388700 -2.278362
C 6.022320 3.331930 -1.055236
C -5.580871 -1.850621 -0.124402
C -4.720222 -2.655659 0.645389
H 3.562046 -0.883523 -0.437809
H 2.577661 -1.425392 0.941691
H 3.145736 2.262009 1.376409
H 4.175010 0.820493 1.276199
H 1.214673 1.522234 1.986403
H 0.602358 -0.100821 1.527634
H 0.549933 -1.598614 -0.498853
H 1.374485 -0.713477 -1.843918
H 4.396956 1.200845 -1.268392
H 3.424361 2.708708 -1.080884
H -5.823931 -0.001068 -1.227304
H -2.743411 -2.873730 1.523038
H 1.965093 -4.259172 -2.488160
H 0.409889 -3.692719 -1.773208
H 1.114138 -2.837135 -3.197713
H 6.842083 3.776943 -0.477421
H 6.408461 2.609178 -1.779961
H 5.430324 4.109043 -1.547554
H -6.595164 -2.194193 -0.323949
H -5.085894 -3.608880 1.028063


%chk=000253344-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253344

0 1
S 0.083307 1.932719 0.050650
S -2.796857 1.364565 -1.056956
O 1.976931 -2.624082 -1.165310
O 4.995280 2.545557 -0.352557
N 2.396684 0.298856 1.148591
N -1.474944 -0.302564 0.609796
C 2.375076 -1.076769 0.603523
C 3.614621 1.114364 0.971899
C 1.219707 0.894240 1.567040
C 1.741276 -1.224922 -0.796199
C 3.803483 1.701623 -0.444385
C -1.330495 0.852802 -0.014042
C -3.588812 -0.182432 -0.529123
C -2.720341 -0.910330 0.351241
C -4.860208 -0.672653 -0.881478
C -3.147250 -2.150756 0.882036
C 1.250817 -3.009611 -2.374420
C 5.321321 3.192456 -1.622774
C -5.270570 -1.914010 -0.341009
C -4.420695 -2.644070 0.531721
H 3.414765 -1.446913 0.555954
H 1.819656 -1.732849 1.298199
H 3.583831 1.958288 1.685082
H 4.500181 0.502322 1.222244
H 1.355710 1.755781 2.232624
H 0.429511 0.191062 1.865466
H 0.654959 -1.008568 -0.757283
H 2.214106 -0.543060 -1.535921
H 3.957406 0.896338 -1.196364
H 2.916292 2.299087 -0.747316
H -5.520138 -0.114587 -1.552804
H -2.482812 -2.703153 1.553407
H 1.479284 -4.073329 -2.546159
H 0.155582 -2.881425 -2.244805
H 1.578491 -2.415683 -3.254336
H 6.218817 3.802804 -1.436897
H 5.540864 2.444914 -2.414588
H 4.493677 3.847401 -1.968142
H -6.257016 -2.313045 -0.600531
H -4.759698 -3.602968 0.938423


