%chk=000073007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073007

0 1
 S   9.5500000E-02  -1.589000      1.9999999E-04
 O    4.882700     -0.2561000      5.0000002E-04
 N  -0.3430000       1.492300      6.0000003E-04
 N    2.613900     -0.7371000     -3.9999999E-04
 N   -2.703700       1.347600       0.000000    
 N   -3.842500     -0.7684000     -6.9999998E-04
 N   -2.637100      -2.782800      3.9999999E-04
 N   -5.047100       1.241000      3.9999999E-04
 C   0.9836000       1.051400      3.9999999E-04
 C   -1.506900      0.7093000      3.0000001E-04
 C   -1.426700     -0.6812000       0.000000    
 C    1.328500     -0.3007000      9.9999997E-05
 C    2.030500       1.981000     -9.9999997E-05
 C   -2.634600      -1.365200     -3.9999999E-04
 C    3.353300       1.556400     -6.0000003E-04
 C    3.589800      0.1963000     -6.9999998E-04
 C   -3.804000      0.5720000     -3.0000001E-04
 C    5.067700      -1.666900      3.0000001E-04
 H  -0.4970000       2.493600      7.9999998E-04
 H    1.818000       3.047700      9.9999997E-05
 H    4.165500       2.274700     -6.9999998E-04
 H   -3.539100      -3.242400      9.4999997E-03
 H   -1.846900      -3.262500      0.4136000    
 H   -5.067700       2.251500      1.7000000E-03
 H   -5.901800      0.7018000      1.1000000E-03
 H    4.640900      -2.119000      0.9019000    
 H    6.143600      -1.865300      7.9999998E-04
 H    4.641800      -2.118800     -0.9018000    


%chk=000073007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073007

0 1
S 0.096944 -1.601687 -0.766911
O 4.881907 -0.248304 0.256550
N -0.381172 1.501466 -0.443020
N 2.592325 -0.733534 -0.139023
N -2.684676 1.385140 -0.072130
N -3.828340 -0.759847 0.219025
N -2.668150 -2.788285 0.107118
N -4.995582 1.266831 0.278596
C 0.948336 1.065493 -0.253105
C -1.518653 0.704445 -0.278758
C -1.442276 -0.704911 -0.293080
C 1.325947 -0.302803 -0.318405
C 1.987818 2.001055 0.005178
C -2.637570 -1.413291 0.017722
C 3.315377 1.568141 0.167853
C 3.569762 0.176622 0.090404
C -3.796940 0.604145 0.130845
C 5.121019 -1.701651 0.173125
H -0.572371 2.506210 -0.429621
H 1.749281 3.068586 0.072429
H 4.135026 2.264480 0.355762
H -3.556114 -3.230755 0.331790
H -1.812158 -3.337295 0.072178
H -5.010029 2.281218 0.233675
H -5.840713 0.727934 0.441975
H 4.542578 -2.238106 0.945024
H 6.202411 -1.811511 0.341519
H 4.833213 -2.088585 -0.819716


