%chk=000014559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000014559

0 1
S 2.102556 2.395151 -0.211557
S 1.230410 0.694907 -1.094916
O 1.102595 -1.166995 -1.421181
O -0.238013 -2.883232 -0.939387
N 3.255926 -0.786291 0.084315
C 2.866327 0.101913 1.266791
C 3.168148 1.572862 1.030421
C -0.412916 0.672731 -0.404149
C -0.962249 -0.617332 -0.458130
C -1.130029 1.754573 0.086194
C -2.270657 -0.834313 -0.024659
C -2.442233 1.526997 0.526308
C -3.009470 0.248088 0.469618
C -0.052167 -1.682733 -0.972808
H 1.775747 -0.044723 1.482531
H 3.410511 -0.259040 2.170147
H 3.026297 2.134027 1.979952
H 4.218851 1.741789 0.728529
H 3.957522 -1.481104 0.353861
H 3.643150 -0.219284 -0.692008
H 2.384572 -1.304647 -0.340788
H -0.697702 2.755067 0.128184
H -2.699241 -1.837160 -0.074294
H -3.028445 2.360971 0.912790
H -4.032192 0.093678 0.808536


%chk=000014559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014559

0 1
S 2.242372 2.704987 -0.207669
S 1.228436 1.170216 -1.571508
O 1.236517 -2.064142 -0.990737
O -0.796226 -2.666375 -1.844031
N 3.022588 -0.746106 0.252533
C 2.663617 0.250840 1.318374
C 3.233181 1.653537 1.052662
C -0.286427 0.716053 -0.596124
C -0.748880 -0.629722 -0.563578
C -1.041300 1.753966 0.003574
C -1.999987 -0.888527 0.065476
C -2.249802 1.464148 0.666423
C -2.735787 0.134401 0.691738
C -0.086893 -1.850679 -1.198741
H 1.564703 0.303351 1.413800
H 3.055748 -0.113460 2.285999
H 3.183942 2.265254 1.970990
H 4.280110 1.601435 0.708073
H 3.691113 -1.453534 0.586145
H 3.395080 -0.286500 -0.591364
H 1.869468 -1.425536 -0.367023
H -0.672004 2.783038 -0.047631
H -2.376640 -1.915962 0.037441
H -2.819390 2.273287 1.136057
H -3.686241 -0.098069 1.183420


