%chk=000180664.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180664

0 1
S -3.948946 -0.722593 0.364249
O -1.727206 0.726244 0.488624
N -1.577969 -1.439973 1.292336
C 0.942559 -1.032423 -0.705904
C 0.719356 -2.017733 0.462982
C 1.892655 0.072896 -0.285697
C -0.122487 -1.406705 1.592388
C 1.452442 -1.770076 -1.949050
C 3.273356 -0.150340 -0.179333
C 1.375478 1.341791 0.019476
C 4.125461 0.884676 0.216147
C 2.229795 2.373397 0.415176
C 3.606918 2.148682 0.513001
C -2.208721 -0.360540 0.717564
C -4.526077 0.877356 -0.310648
C -5.094324 0.637470 -1.689032
H -0.047482 -0.570543 -0.968065
H 1.698133 -2.336455 0.873386
H 0.242681 -2.941453 0.082913
H 0.188587 -0.348970 1.780926
H 0.041182 -1.962733 2.542176
H 0.693721 -2.452538 -2.346452
H 2.352678 -2.358530 -1.743144
H 1.704797 -1.059806 -2.746671
H 3.686052 -1.130212 -0.408214
H 0.296660 1.521540 -0.044043
H -2.034534 -2.346656 1.361277
H 5.195931 0.705191 0.292613
H 1.820075 3.354719 0.648448
H 4.270958 2.953315 0.819049
H -5.280888 1.284094 0.388927
H -3.676613 1.597836 -0.331682
H -4.339513 0.245484 -2.386043
H -5.929786 -0.075537 -1.683038
H -5.474032 1.573425 -2.124143


%chk=000180664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180664

0 1
S -4.154535 -0.887127 0.524241
O -1.917390 0.741503 0.778017
N -1.617335 -1.540508 1.219273
C 0.930098 -1.124190 -0.714284
C 0.747865 -2.063909 0.518369
C 1.832761 0.066488 -0.365603
C -0.190033 -1.488787 1.606973
C 1.447221 -1.927180 -1.934193
C 3.241707 -0.086255 -0.262080
C 1.273586 1.344762 -0.106131
C 4.068493 1.006872 0.078399
C 2.099203 2.441041 0.236225
C 3.499910 2.278250 0.328032
C -2.354114 -0.436302 0.863952
C -4.717476 0.795671 -0.142264
C -4.528487 0.924445 -1.658797
H -0.069772 -0.725021 -0.976329
H 1.738124 -2.262738 0.974392
H 0.351214 -3.043557 0.180372
H 0.057702 -0.433201 1.810505
H -0.069619 -2.053462 2.551224
H 0.713380 -2.701348 -2.226313
H 2.401068 -2.441365 -1.712351
H 1.615767 -1.265662 -2.802439
H 3.701116 -1.063262 -0.456602
H 0.186156 1.474873 -0.154983
H -2.080613 -2.452158 1.206880
H 5.154012 0.869329 0.147463
H 1.645879 3.419388 0.433187
H 4.140543 3.127925 0.590453
H -5.773425 0.879173 0.163297
H -4.113546 1.539256 0.404792
H -3.460382 0.847600 -1.925444
H -5.082756 0.142324 -2.206280
H -4.895424 1.911433 -2.001454


