%chk=000047904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047904

0 1
 S    1.156800     -0.8192000      -1.070300    
 O   -5.602200      -1.483800      0.2637000    
 N   -1.727700       1.500500      0.2327000    
 N    4.270600      -1.489300      0.3815000    
 N    3.202500      -3.458000      4.8200000E-02
 N    5.091100      -2.522900      0.1459000    
 N    4.501700      -3.709300     -5.7000000E-02
 C   -1.581200     -0.6333000     -0.4022000    
 C  -0.4224000       1.287100     -0.1209000    
 C   -2.458400      0.3448000      7.1300000E-02
 C  -0.3001000     -2.4599999E-02 -0.5178000    
 C   0.5547000       2.349500     -4.2500000E-02
 C   -2.080000      -1.926500     -0.6552000    
 C   -3.814900      9.3199998E-02  0.3059000    
 C   -4.286900      -1.197000      4.8200000E-02
 C   -3.434700      -2.192900     -0.4250000    
 C   0.7676000       3.179900      -1.141100    
 C    1.280700       2.540300       1.131400    
 C    1.813000      -1.445900      0.4980000    
 C    1.710100       4.205300      -1.065300    
 C    2.223300       3.565800       1.207200    
 C    2.438000       4.398300      0.1088000    
 C    3.123000      -2.137500      0.3065000    
 C   -6.424600     -0.4247000      0.7480000    
 H   -2.106100       2.377300      0.5648000    
 H   -1.432400      -2.717000      -1.023500    
 H   -4.426000      0.9078000      0.6735000    
 H   -3.819100      -3.191100     -0.6199000    
 H   0.2085000       3.042400      -2.063600    
 H    1.124800       1.900200       1.996500    
 H    1.092800      -2.147600      0.9328000    
 H    1.931700     -0.6167000       1.203900    
 H    1.877500       4.853400      -1.920600    
 H    2.790200       3.716000       2.121300    
 H    3.172000       5.196700      0.1677000    
 H   -7.436100     -0.8280000      0.8623000    
 H   -6.489700      0.3977000      2.7300000E-02
 H   -6.103800     -8.5299999E-02   1.738900    
 H    6.099300      -2.413700      0.1231000    


%chk=000047904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047904

0 1
S 1.737455 -0.197991 -0.918106
O -4.931312 -2.010264 0.441147
N -1.592411 1.727503 0.320317
N 3.875519 -3.140996 -0.147358
N 1.658348 -3.709959 -0.375541
N 3.693799 -4.398218 -0.657589
N 2.365310 -4.779225 -0.808876
C -1.069121 -0.425558 -0.220673
C -0.224417 1.725261 -0.033598
C -2.127161 0.440870 0.213392
C 0.114881 0.397579 -0.374599
C 0.550319 2.973146 0.032177
C -1.342633 -1.809800 -0.401724
C -3.445920 -0.011400 0.449593
C -3.683335 -1.389830 0.251024
C -2.642511 -2.277652 -0.166250
C 1.649762 3.220197 -0.838216
C 0.198219 3.984055 0.975861
C 2.197343 -1.390653 0.539013
C 2.371918 4.429206 -0.760834
C 0.914048 5.196996 1.041358
C 2.007097 5.427002 0.173181
C 2.578461 -2.729223 0.022582
C -6.048520 -1.165024 0.859885
H -2.128853 2.576766 0.487709
H -0.554294 -2.502996 -0.713895
H -4.234024 0.674261 0.773639
H -2.896850 -3.333598 -0.296358
H 1.925956 2.468204 -1.582240
H -0.611897 3.801778 1.692827
H 1.296647 -1.447607 1.166573
H 3.027403 -0.927126 1.090225
H 3.214193 4.597921 -1.440973
H 0.629379 5.956427 1.778300
H 2.565812 6.367889 0.224957
H -6.910745 -1.843430 0.939149
H -6.261961 -0.377471 0.110002
H -5.853065 -0.695164 1.844461
H 4.470761 -5.009976 -0.906041


