%chk=000299939.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299939

0 1
S -1.418141 1.688170 -0.996883
O -0.800003 1.783107 -2.302046
O -2.506180 2.575627 -0.626929
O 4.291233 -1.366445 0.350503
N -0.166084 2.000347 0.162978
C 0.973440 1.129565 0.178393
C -0.558873 2.576337 1.479871
C 1.335754 0.442278 1.371568
C -1.905150 0.057523 -0.719919
C -0.401254 1.608136 2.620747
C 0.503197 0.619867 2.567339
C 1.740445 0.976785 -0.987383
C 2.462466 -0.379038 1.378404
C -3.021168 -0.211066 0.079929
C -1.197735 -1.000791 -1.302851
C 3.214357 -0.515957 0.196022
C 2.863480 0.147669 -0.986300
C -2.707194 -2.591370 -0.263791
C -3.422317 -1.526890 0.311396
C -1.591353 -2.318590 -1.076111
C -3.122868 -4.004102 -0.026213
C 5.182445 -1.534327 -0.777188
H -1.600904 2.975797 1.418307
H 0.100196 3.464096 1.665375
H -1.040704 1.778109 3.482917
H 0.653913 -0.083241 3.384956
H 1.458388 1.513724 -1.902595
H 2.774769 -0.910885 2.274651
H -3.590517 0.615661 0.521005
H -0.333038 -0.795860 -1.944591
H 3.449399 0.040504 -1.893841
H -4.291688 -1.726400 0.934603
H -1.035056 -3.137131 -1.528950
H -2.300492 -4.599349 0.398885
H -3.972659 -4.093168 0.663834
H -3.420420 -4.494605 -0.965941
H 5.935601 -2.219817 -0.367059
H 5.634294 -0.576909 -1.052562
H 4.651921 -1.991960 -1.616731


%chk=000299939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299939

0 1
S -1.980073 1.008423 -2.901516
O -2.551112 2.218376 -1.906747
O -0.227228 0.760376 -2.625873
O 5.079636 -0.313025 2.343381
N 0.402911 1.419832 -0.247546
C 1.558506 0.987614 0.382337
C -0.436731 2.276625 0.363170
C 1.892016 1.444103 1.715457
C -2.622088 -0.548377 -2.005393
C -0.171207 2.769658 1.679001
C 0.981785 2.357947 2.348830
C 2.431724 0.082983 -0.292401
C 3.087860 0.977752 2.331982
C -2.063486 -1.806591 -2.295060
C -3.673418 -0.394704 -1.084723
C 3.930900 0.087089 1.651083
C 3.600778 -0.362323 0.327677
C -3.642610 -2.830846 -0.698990
C -2.581698 -2.944979 -1.635598
C -4.177153 -1.542040 -0.433373
C -4.180014 -4.054362 0.023394
C 6.001659 -1.242810 1.681453
H 0.045827 1.012092 -1.566623
H -1.332289 2.555138 -0.216054
H -0.878682 3.464958 2.139502
H 1.205375 2.724507 3.357242
H 2.165108 -0.246692 -1.301956
H 3.364083 1.306214 3.339079
H -1.230220 -1.895319 -3.000265
H -4.060642 0.610497 -0.880856
H 4.260809 -1.053348 -0.204420
H -2.154948 -3.932431 -1.849378
H -4.998156 -1.437207 0.286730
H -5.282442 -4.030807 0.093094
H -3.890294 -4.988377 -0.488255
H -3.789235 -4.107368 1.058091
H 6.808310 -1.406724 2.410367
H 6.420749 -0.804434 0.755546
H 5.507190 -2.206018 1.451413


