%chk=000150331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150331

0 1
 S   0.6387000      0.8915000     -0.4708000    
 O    4.268000       1.478600     -9.4300002E-02
 O    3.594900      0.1443000       1.612300    
 N   -3.140000      0.1873000      8.5299999E-02
 N   -1.276300      -1.013700     -4.1299999E-02
 N   -2.365600       2.409000     -0.2277000    
 N    3.708200      -1.813000     -0.5836000    
 C   -2.131400       1.083400     -0.1313000    
 C   -1.010000      0.3120000     -0.2025000    
 C    1.528700     -0.6972000     -0.4339000    
 C   -2.578600      -1.058400      0.1321000    
 C    3.032900     -0.5153000     -0.6457000    
 C   -4.545300      0.4929000      0.2383000    
 C   -3.382700      -2.277700      0.3525000    
 C    3.658400      0.3764000      0.4106000    
 H    1.122200      -1.347300      -1.217600    
 H    1.340600      -1.173400      0.5362000    
 H    3.216400     -7.9300001E-02  -1.635500    
 H   -5.131100     -0.4110000      0.4090000    
 H   -4.658600       1.163200       1.094700    
 H   -4.890900      0.9803000     -0.6773000    
 H   -3.893700      -2.243900       1.319700    
 H   -4.125100      -2.409800     -0.4407000    
 H   -2.738000      -3.163000      0.3512000    
 H   -3.292900       2.813800     -0.1472000    
 H   -1.613800       3.072100     -0.3889000    
 H    4.691400      -1.698500     -0.8277000    
 H    3.313200      -2.437900      -1.285500    
 H    4.648000       2.042700      0.6125000    


%chk=000150331-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150331

0 1
S 0.535111 -0.580835 -1.814890
O 4.076030 1.738580 -0.202059
O 1.840052 1.707636 0.372354
N -2.965129 -0.029526 0.036992
N -2.033515 -1.633897 -1.268506
N -1.117068 1.560107 0.308462
N 3.927998 -0.974843 0.561780
C -1.660922 0.411200 -0.256320
C -1.105067 -0.597945 -1.064865
C 1.632012 -1.116251 -0.341997
C -3.151291 -1.267499 -0.616565
C 2.981336 -0.387300 -0.413673
C -3.907654 0.677498 0.903929
C -4.438586 -2.033495 -0.586784
C 2.845011 1.093993 -0.042834
H 1.783742 -2.207124 -0.408498
H 1.094256 -0.874107 0.587396
H 3.351178 -0.418216 -1.467817
H -4.622019 -0.038746 1.340370
H -3.348255 1.165158 1.722197
H -4.481029 1.449371 0.355269
H -4.714076 -2.367232 0.433023
H -5.287952 -1.447437 -0.988077
H -4.310994 -2.929366 -1.214057
H -1.640726 2.434219 0.273658
H -0.093028 1.638171 0.310723
H 4.862445 -0.556067 0.543989
H 3.938347 -1.998237 0.560095
H 3.997391 2.690288 0.079606


