%chk=000104199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104199

0 1
S 3.172909 -2.901318 -0.188331
O 3.727516 -2.937024 1.399506
O -1.509882 -0.773916 0.213281
O 4.357439 -2.645853 -0.963583
O 2.402819 -4.097013 -0.389343
O -2.934755 3.163266 1.151309
O 6.201893 2.899738 -0.381510
O 6.665135 0.801789 -0.117915
N -0.809559 1.423818 0.203983
N -1.868879 0.634456 0.271567
N 5.887926 1.732831 -0.221420
C 2.613704 -0.193352 -0.078129
C 1.711046 0.911030 0.037531
C 2.114895 -1.538508 -0.091773
C 0.324176 0.603995 0.123025
C 4.008893 0.116306 -0.177475
C 0.763241 -1.830836 -0.005067
C 2.182275 2.257326 0.067642
C -0.108809 -0.745872 0.107240
C 4.429350 1.426408 -0.136650
C 3.525391 2.520201 -0.015599
C -4.237373 -0.067355 0.226899
C -5.502798 0.364512 -0.249554
C -3.162890 0.926101 0.331391
C -4.064006 -1.416590 0.577844
C -5.725330 1.780632 -0.552920
C -3.577198 2.381553 0.496967
C -6.544079 -0.563807 -0.404392
C -4.833485 2.719706 -0.204029
C -5.112604 -2.326170 0.426616
C -6.349719 -1.905083 -0.072239
H 4.760917 -0.687310 -0.304738
H 0.375476 -2.859975 -0.020579
H 1.447363 3.065175 0.160461
H 3.920635 3.542185 0.003065
H -3.116418 -1.770508 0.990268
H -6.659885 2.039734 -1.058407
H -7.513072 -0.234197 -0.781358
H -4.982978 3.785535 -0.386393
H -4.964564 -3.371418 0.701790
H -7.161420 -2.621653 -0.195537
H 4.581802 -3.370235 1.553656


%chk=000104199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104199

0 1
S 4.003487 -2.768996 1.055138
O 4.513608 -1.719671 2.496969
O -1.100293 -2.052336 0.658700
O 5.177601 -2.716662 -0.056860
O 3.451526 -4.196231 1.570257
O -1.763982 2.043234 1.103029
O 5.476262 3.381418 -1.253954
O 6.457487 1.508127 -0.394868
N -0.868506 0.451663 -0.526964
N -2.054279 -0.055623 -0.593092
N 5.424139 2.188787 -0.759915
C 2.727121 -0.332425 0.062984
C 1.542809 0.408382 -0.302239
C 2.510288 -1.666281 0.591196
C 0.236217 -0.201062 -0.117696
C 4.005866 0.263257 -0.094616
C 1.300535 -2.270758 0.796193
C 1.676642 1.734427 -0.802926
C 0.062778 -1.548183 0.477857
C 4.085656 1.567122 -0.602695
C 2.937465 2.317113 -0.963293
C -4.486205 -0.032702 -0.396608
C -5.620349 0.647309 0.162412
C -3.160543 0.472514 -0.067213
C -4.684262 -1.171401 -1.221510
C -5.414523 1.801559 1.024574
C -2.957317 1.643788 0.845276
C -6.929189 0.176240 -0.135472
C -4.164475 2.289418 1.347376
C -5.987655 -1.619460 -1.505658
C -7.114593 -0.944857 -0.964350
H 4.926199 -0.265753 0.163267
H 1.220793 -3.281035 1.210969
H 0.769080 2.292996 -1.046498
H 3.061667 3.332152 -1.348153
H -3.811426 -1.698937 -1.618152
H -6.304756 2.295017 1.434007
H -7.794380 0.696668 0.291086
H -4.030915 3.155479 2.001698
H -6.133372 -2.498303 -2.142201
H -8.124827 -1.302088 -1.188186
H 5.373719 -2.085605 2.857233


