%chk=000229347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229347

0 1
S -1.314824 0.201095 0.299189
O -1.715976 -0.016857 1.672849
O -1.791903 1.358697 -0.431799
O 5.183949 1.003216 -0.930336
O 5.447262 -0.663446 0.537415
N -1.757388 -1.193333 -0.607685
C -4.244072 -1.709556 -0.579042
C -2.841085 -2.047522 -0.051625
C -4.774353 -0.363348 -0.069254
C 0.425104 0.166989 0.191989
C -6.240493 -0.159340 -0.442783
C 1.151067 -0.740175 0.966271
C 1.077720 1.058739 -0.662425
C 2.546981 -0.766314 0.879909
C 2.472913 1.040611 -0.754457
C 3.201259 0.124381 0.016328
C 4.685105 0.066777 -0.052102
H -4.938534 -2.518815 -0.273526
H -4.254300 -1.720540 -1.685911
H -2.589167 -3.101419 -0.318908
H -2.824981 -1.998408 1.064465
H -4.169131 0.470992 -0.483252
H -4.655749 -0.299870 1.032020
H -1.882639 -1.054439 -1.620561
H -6.884716 -0.925517 0.002386
H -6.600694 0.815107 -0.090668
H -6.390828 -0.188625 -1.527668
H 0.637458 -1.427270 1.647276
H 0.500598 1.780478 -1.254795
H 3.129941 -1.471925 1.479542
H 2.997979 1.733791 -1.418323
H 6.179297 0.976645 -0.983419


%chk=000229347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229347

0 1
S -1.353223 0.202374 0.304427
O -1.756322 -0.184568 1.835548
O -1.847039 1.586336 -0.412141
O 5.317790 0.989301 -0.980691
O 5.519851 -0.613798 0.688524
N -1.814409 -1.288705 -0.760772
C -4.342337 -1.759805 -0.584237
C -2.899079 -2.132278 -0.176610
C -4.840390 -0.401803 -0.036688
C 0.531460 0.168802 0.183641
C -6.310600 -0.125124 -0.418258
C 1.236472 -0.686829 1.046316
C 1.142104 1.027845 -0.743449
C 2.642646 -0.687364 0.958906
C 2.551062 1.016007 -0.820952
C 3.298394 0.156009 0.023693
C 4.787850 0.111726 -0.025101
H -5.011414 -2.564295 -0.215010
H -4.429441 -1.772379 -1.691936
H -2.661471 -3.167663 -0.490508
H -2.785223 -2.089808 0.924771
H -4.204800 0.422800 -0.417001
H -4.728177 -0.391322 1.065173
H -2.078709 -0.867029 -1.673930
H -6.983956 -0.902331 -0.009192
H -6.645580 0.852383 -0.027218
H -6.441905 -0.111319 -1.517165
H 0.704129 -1.311005 1.770189
H 0.533802 1.697217 -1.359751
H 3.248376 -1.330497 1.604810
H 3.075924 1.666772 -1.524843
H 6.310014 0.921147 -0.969447


