%chk=000110172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000110172

0 1
S 5.849684 -0.153104 0.227703
O -4.913316 -1.979283 0.381974
O 6.123455 -1.725254 0.787072
O 6.427019 -0.161014 -1.094294
O 6.367992 0.721385 1.244407
N -0.805376 0.685185 -0.186296
N -0.073712 -0.269396 0.158024
N -6.434926 0.281453 -0.072105
C -2.994808 1.651619 -0.502911
C -2.222819 0.509363 -0.156310
C -5.045635 0.365630 -0.162632
C -4.392239 1.563000 -0.507583
C -4.245581 -0.773442 0.172453
C -2.865252 -0.705926 0.178303
C 4.142643 -0.130303 0.188620
C -2.337819 2.941026 -0.860057
C 1.355923 -0.102563 0.127653
C 3.421674 0.269036 1.322881
C 3.464140 -0.511516 -0.977839
C 2.029214 0.289394 1.300801
C 2.072349 -0.496854 -1.019220
C -5.014187 -2.350853 1.783092
H -4.981254 2.439568 -0.769409
H -2.273627 -1.591424 0.428944
H -1.634474 2.810855 -1.699460
H -3.047222 3.728016 -1.142147
H -1.734256 3.323442 -0.020346
H 3.954140 0.577158 2.231473
H 4.029890 -0.813787 -1.868005
H 1.464771 0.600285 2.179169
H 1.540439 -0.790091 -1.923772
H -6.832725 -0.651366 -0.044572
H -6.987703 0.955582 -0.577098
H -5.572815 -1.590850 2.335489
H -4.017072 -2.497806 2.206616
H -5.563772 -3.297548 1.731500
H 6.983554 -2.110716 0.573686


%chk=000110172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000110172

0 1
S 5.824375 -0.147667 0.567231
O -5.221293 -1.190222 1.412658
O 6.077535 -1.415494 -0.776144
O 6.395794 1.269012 0.029289
O 6.362537 -0.771770 1.960930
N -0.866945 0.561613 -0.279093
N -0.241422 -0.257272 0.549427
N -6.493182 0.440864 -0.248186
C -2.974864 1.379819 -1.133574
C -2.270588 0.501834 -0.241450
C -5.115372 0.487459 -0.272472
C -4.382354 1.352367 -1.129149
C -4.386232 -0.384401 0.615315
C -2.996583 -0.377250 0.629581
C 3.962498 -0.165791 0.523087
C -2.229103 2.317651 -2.062336
C 1.181322 -0.168133 0.481701
C 3.292303 -1.048280 1.387686
C 3.311150 0.715533 -0.362009
C 1.884983 -1.038387 1.361052
C 1.906511 0.712737 -0.377096
C -4.563825 -2.106978 2.348596
H -4.934113 2.016399 -1.805009
H -2.407497 -1.023074 1.287034
H -1.559722 1.758495 -2.739253
H -2.932535 2.909043 -2.673147
H -1.586921 3.013079 -1.493929
H 3.852882 -1.701973 2.062614
H 3.892430 1.387788 -1.001031
H 1.303564 -1.699141 2.011106
H 1.345520 1.375917 -1.041039
H -6.949412 -0.205070 0.393380
H -7.053516 1.034876 -0.852769
H -3.947818 -1.549138 3.079096
H -3.929920 -2.834695 1.807415
H -5.379502 -2.631287 2.867198
H 7.065614 -1.509561 -0.910905


