%chk=000067070.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067070

0 1
 S    2.186400       2.016800     -0.3035000    
 O    2.000800       2.690000       1.173300    
 O    3.553000       2.280000     -0.7247000    
 O    1.060900       2.417900      -1.130600    
 N  -0.3582000      0.5076000      0.4330000    
 N    4.217800      -2.697200     -0.1019000    
 N   -5.802400     -0.5575000     -0.4056000    
 C   0.8008000     -0.2806000      0.2941000    
 C    2.030100      0.2925000     -4.0199999E-02
 C    3.163900     -0.5092000     -0.1715000    
 C   -1.726800      0.2394000      0.2227000    
 C   0.7117000      -1.659800      0.4962000    
 C    3.071600      -1.886200      3.0800000E-02
 C    1.845500      -2.461500      0.3648000    
 C   -2.692100      0.9056000      0.9776000    
 C   -2.115000     -0.6917000     -0.7406000    
 C   -4.433900     -0.2904000     -0.1941000    
 C   -4.045700      0.6406000      0.7693000    
 C   -3.468400     -0.9565000     -0.9491000    
 H  -0.1818000       1.438500      0.7993000    
 H    4.129300     -8.1699997E-02 -0.4286000    
 H  -0.2228000      -2.135100      0.7815000    
 H    1.762100      -3.532600      0.5303000    
 H   -2.402100       1.632700       1.731800    
 H   -1.386500      -1.208100      -1.359600    
 H   -4.788400       1.166300       1.364100    
 H   -3.758600      -1.680300      -1.706400    
 H    5.107200      -2.281500     -0.3446000    
 H    4.150900      -3.695700      4.4100001E-02
 H    2.673000       2.427600       1.845400    
 H   -6.502800     -7.5900003E-02  0.1425000    
 H   -6.084300      -1.233500      -1.102900    


%chk=000067070-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067070

0 1
S 2.388390 1.994894 -0.293619
O 1.464388 2.613378 1.284134
O 3.971762 2.321928 -0.188770
O 1.551230 2.610144 -1.535317
N -0.293636 0.521923 0.420909
N 4.274553 -2.853675 -0.078941
N -5.840352 -0.537342 -0.250385
C 0.792663 -0.325560 0.193464
C 2.108292 0.171587 -0.023683
C 3.274638 -0.614646 -0.084704
C -1.667559 0.208010 0.251269
C 0.708919 -1.752275 0.264513
C 3.154731 -2.022918 0.004035
C 1.842802 -2.568275 0.167175
C -2.628885 0.849891 1.077622
C -2.133303 -0.679859 -0.755938
C -4.473455 -0.290148 -0.086994
C -4.005592 0.616463 0.907564
C -3.507904 -0.932619 -0.915154
H -0.056810 1.446337 0.812833
H 4.246402 -0.128528 -0.222629
H -0.268175 -2.205395 0.454837
H 1.721439 -3.655391 0.248645
H -2.290228 1.535924 1.863281
H -1.419106 -1.148544 -1.440789
H -4.725468 1.131594 1.555334
H -3.840732 -1.618501 -1.704065
H 5.207521 -2.465000 -0.175605
H 4.175811 -3.863328 -0.043150
H 1.463487 3.611945 1.237267
H -6.527937 -0.064651 0.328067
H -6.172686 -1.166859 -0.974304


