%chk=000180665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180665

0 1
S 3.756981 0.593197 0.963921
O 1.932679 -0.754541 -0.416885
N 1.578517 1.523668 -0.208031
C -0.920803 1.928276 0.043161
C -1.217591 0.759939 1.021040
C 0.267807 1.568356 -0.900220
C -2.137853 2.221858 -0.850203
C -0.589595 3.188626 0.865090
C -1.912377 -0.416880 0.391154
C -3.313910 -0.508678 0.432490
C -1.174787 -1.441476 -0.220339
C 2.246019 0.340551 -0.006009
C -3.964621 -1.605051 -0.138631
C -1.830296 -2.535135 -0.791081
C -3.225596 -2.620401 -0.753806
C 4.485749 -1.084929 0.950326
C 5.835034 -1.020833 0.275423
H -0.268662 0.426582 1.490940
H -1.830289 1.142063 1.863654
H 0.341898 2.317593 -1.720093
H 0.070571 0.583176 -1.388888
H -3.033316 2.412769 -0.248052
H -1.979557 3.098630 -1.485206
H -2.376158 1.373411 -1.504743
H -1.475335 3.557086 1.396349
H 0.176122 2.999286 1.624226
H -0.240336 4.006837 0.227333
H 1.894051 2.394559 0.214167
H -3.896622 0.274651 0.910987
H -0.080583 -1.391846 -0.250435
H -5.050373 -1.669393 -0.102540
H -1.248406 -3.324653 -1.264548
H -3.732996 -3.473132 -1.197727
H 4.558089 -1.424353 2.001101
H 3.793675 -1.783340 0.425910
H 5.758339 -0.696476 -0.772659
H 6.525714 -0.329865 0.777168
H 6.317016 -2.009232 0.268257


%chk=000180665-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180665

0 1
S 3.828046 0.660648 1.332130
O 2.070309 -0.774032 -0.270960
N 1.600666 1.501333 0.041306
C -0.909925 1.953594 0.045648
C -1.324370 0.793704 1.025981
C 0.368247 1.573421 -0.767779
C -2.031699 2.259529 -0.977645
C -0.636038 3.225745 0.894112
C -1.973897 -0.430826 0.391510
C -3.389433 -0.533991 0.324013
C -1.197182 -1.497862 -0.135400
C 2.337159 0.354963 0.219304
C -4.015034 -1.656333 -0.263107
C -1.820727 -2.621203 -0.725836
C -3.230282 -2.705780 -0.795226
C 4.662702 -1.027908 1.114647
C 5.632980 -1.056071 -0.072730
H -0.418939 0.495545 1.590587
H -2.026895 1.230033 1.763218
H 0.516442 2.328367 -1.566455
H 0.236465 0.592689 -1.254222
H -2.983968 2.479574 -0.461223
H -1.769427 3.140986 -1.593649
H -2.210358 1.404161 -1.653035
H -1.577140 3.603045 1.334342
H 0.057143 3.020419 1.731821
H -0.209479 4.039930 0.275599
H 1.952817 2.366230 0.457126
H -4.006507 0.270635 0.744393
H -0.102638 -1.457273 -0.079406
H -5.109084 -1.715379 -0.299443
H -1.202392 -3.433703 -1.124598
H -3.710948 -3.580233 -1.248596
H 5.161756 -1.220819 2.078537
H 3.834535 -1.743376 0.975892
H 5.094264 -0.871797 -1.017865
H 6.426828 -0.296079 0.031685
H 6.114200 -2.050986 -0.142075


