%chk=000198367.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198367

0 1
S 0.267011 -1.877955 -0.093916
O 0.416351 -2.603834 1.138047
O 0.469274 -2.543986 -1.350881
O -3.183801 1.552156 0.842604
O -3.988442 0.111866 -0.690317
N -0.664301 1.098585 0.070645
N -1.333024 -1.201637 -0.101084
C 1.248568 -0.447761 -0.037393
C 0.734848 0.853180 0.059104
C 2.643686 -0.617703 -0.076232
C -1.607788 0.043242 -0.020001
C 1.596814 1.973703 0.133488
C 3.500766 0.475247 -0.010536
C 2.970846 1.772475 0.097686
C -3.062398 0.503305 -0.044174
H -0.998060 2.051626 0.250630
H 3.065549 -1.626133 -0.159776
H 1.192823 2.980367 0.214349
H 4.579719 0.330684 -0.041583
H 3.646970 2.628952 0.153036
H -4.122510 1.882522 0.925004


%chk=000198367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198367

0 1
S 0.262265 -1.982212 -0.059606
O 0.211297 -2.577445 1.448498
O 0.695768 -2.932803 -1.291890
O -3.064198 1.889102 0.392447
O -4.077930 -0.076750 -0.357466
N -0.673226 0.944058 0.379762
N -1.490630 -1.255360 -0.387884
C 1.325464 -0.437763 -0.066128
C 0.722636 0.804841 0.243164
C 2.704200 -0.571635 -0.303294
C -1.627466 0.011593 -0.012082
C 1.565260 1.942457 0.363242
C 3.526852 0.568797 -0.191199
C 2.951194 1.816118 0.157922
C -3.056446 0.540733 -0.033198
H -1.046395 1.859453 0.652049
H 3.118708 -1.549751 -0.567434
H 1.126063 2.918574 0.599728
H 4.603676 0.486301 -0.364461
H 3.589182 2.700424 0.255125
H -3.993373 2.240167 0.401403


