%chk=000289704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289704

0 1
S -4.081046 1.925265 0.000419
N 2.419215 -0.075336 0.000221
N -2.702941 -0.339462 0.000233
N -1.366635 1.733830 0.000464
N -0.151445 1.110197 0.000475
C 4.862222 0.224625 0.000225
C 3.704061 -0.604106 0.000117
C -4.983494 0.428485 0.000243
C -4.083491 -0.675403 0.000163
C 4.666409 1.641055 0.000453
C 2.270814 1.249822 0.000437
C 6.152496 -0.387572 0.000103
C 3.849207 -2.031395 -0.000113
C 3.396545 2.155159 0.000561
C -2.525763 0.957912 0.000362
C -6.359615 0.244406 0.000184
C -4.582577 -1.985753 0.000021
C 6.266742 -1.755576 -0.000116
C 5.103869 -2.583858 -0.000225
C -6.844820 -1.066886 0.000040
C -5.965863 -2.163958 -0.000041
C 0.920020 1.859806 0.000575
H 5.539330 2.294481 0.000542
H 7.035123 0.250146 0.000185
H 2.942374 -2.640573 -0.000191
H 3.222563 3.227707 0.000741
H -7.043343 1.091480 0.000247
H -3.892997 -2.830074 -0.000041
H 7.245423 -2.233603 -0.000211
H 5.234919 -3.666006 -0.000399
H -7.919567 -1.242807 -0.000009
H -6.375684 -3.174683 -0.000152
H 0.930563 2.961345 0.000618
H -1.469613 2.757129 0.000565


%chk=000289704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289704

0 1
S -4.126642 2.038483 0.000443
N 2.456509 -0.144643 0.000178
N -2.764285 -0.321126 0.000212
N -1.369862 1.664152 0.000447
N -0.164466 0.997957 0.000379
C 4.919744 0.238547 0.000242
C 3.752825 -0.627167 0.000100
C -5.044578 0.467545 0.000263
C -4.134934 -0.644314 0.000157
C 4.685416 1.652776 0.000474
C 2.275965 1.199148 0.000397
C 6.226544 -0.343989 0.000143
C 3.942231 -2.048526 -0.000136
C 3.378566 2.132173 0.000551
C -2.572699 0.973327 0.000354
C -6.438548 0.284153 0.000222
C -4.652340 -1.960998 0.000009
C 6.379814 -1.733220 -0.000089
C 5.230163 -2.588696 -0.000229
C -6.935477 -1.041049 0.000072
C -6.049444 -2.150149 -0.000033
C 0.915584 1.756158 0.000484
H 5.536697 2.343383 0.000588
H 7.105159 0.312729 0.000250
H 3.046266 -2.676536 -0.000239
H 3.175598 3.208925 0.000727
H -7.126901 1.134663 0.000302
H -3.954893 -2.803501 -0.000071
H 7.381958 -2.175744 -0.000165
H 5.368135 -3.675454 -0.000410
H -8.018003 -1.206977 0.000037
H -6.456545 -3.166845 -0.000148
H 0.855005 2.865160 0.000622
H -1.409564 2.695456 0.000562


