%chk=000063712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063712

0 1
 S    1.972200     -0.8942000      0.5958000    
 O  -0.3802000      -1.852900     -3.7300002E-02
 N  -0.2461000      0.4983000      1.4900000E-02
 N   -2.261100       1.763200      3.3399999E-02
 N    3.312800      0.9876000     -0.5118000    
 N    1.985200       1.364800     -0.6139000    
 C    4.728700     -0.8498000      0.3677000    
 C    3.445700     -0.1707000      9.8399997E-02
 C   -2.387800     -0.6775000      2.0400001E-02
 C  -0.9655000       1.695000      5.6600001E-02
 C    1.188000      0.4718000     -7.6399997E-02
 C  -0.9113000     -0.7461000      1.6500000E-02
 C   -2.999400      0.5759000      3.7000000E-03
 C    5.892700      0.1364000      0.6192000    
 C    5.133600      -1.840700     -0.7483000    
 C   -3.156200      -1.847700      1.4900000E-02
 C  -0.2383000       3.017000      0.1949000    
 C   -4.397100      0.6476000     -1.8200001E-02
 C   -4.547600      -1.762400     -6.3999998E-03
 C   -5.168300     -0.5157000     -2.4000000E-02
 H    4.631000      -1.437000       1.291700    
 H    6.103800      0.7373000     -0.2725000    
 H    6.806400     -0.4029000      0.8904000    
 H    5.648600      0.8232000       1.437200    
 H    4.360600      -2.603000     -0.8939000    
 H    6.068500      -2.351400     -0.4949000    
 H    5.273500      -1.320700      -1.702500    
 H   -2.691900      -2.829800      2.4400000E-02
 H   0.2193000       3.282300     -0.7622000    
 H   0.5326000       2.954900      0.9674000    
 H  -0.9397000       3.810600      0.4709000    
 H   -4.895400       1.614200     -2.7100001E-02
 H   -5.147200      -2.667900     -1.0800000E-02
 H   -6.252100     -0.4482000     -4.0500000E-02


%chk=000063712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063712

0 1
S 2.102191 -0.741685 1.102044
O -0.457084 -1.962656 -0.525291
N -0.306034 0.324618 0.016505
N -2.251597 1.693114 0.394131
N 3.202026 0.711598 -0.846427
N 1.818006 0.904083 -0.985688
C 4.947195 -0.546122 0.473683
C 3.539056 -0.098671 0.157864
C -2.516807 -0.708623 -0.192483
C -0.940465 1.567400 0.338110
C 1.107397 0.243312 -0.075209
C -1.058422 -0.887232 -0.259103
C -3.065011 0.574115 0.125618
C 5.989695 0.460157 -0.069974
C 5.186082 -1.972935 -0.103865
C -3.374028 -1.810408 -0.449269
C -0.058916 2.754001 0.630363
C -4.476107 0.731340 0.180844
C -4.767156 -1.640801 -0.391809
C -5.316034 -0.365751 -0.075970
H 5.048580 -0.603701 1.575914
H 5.904825 0.553817 -1.165331
H 7.006773 0.109646 0.180767
H 5.845833 1.464431 0.364837
H 4.454481 -2.701444 0.288348
H 6.200107 -2.317830 0.166432
H 5.103244 -1.957923 -1.204860
H -2.920254 -2.777052 -0.690599
H 0.515241 3.055276 -0.262435
H 0.671781 2.530791 1.429551
H -0.705927 3.582958 0.948967
H -4.875019 1.720025 0.425769
H -5.432359 -2.487392 -0.590672
H -6.403292 -0.238956 -0.033058


