%chk=000019311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019311

0 1
 S   0.5000000      0.4745000      -1.249600    
 S    2.388400       2.165400      0.2854000    
 O   -3.194500     -0.1442000       1.491200    
 N    2.646600     -0.5732000      5.1700000E-02
 N   -2.043400      7.5599998E-02 -0.5167000    
 C  -0.7266000      0.2366000      5.7799999E-02
 C    1.956100      0.6195000     -0.2417000    
 C    3.860200     -0.6377000      0.8718000    
 C    2.207500      -1.877800     -0.4497000    
 C   -3.172600     -0.1026000      0.2638000    
 C   -4.421700     -0.2361000     -0.5640000    
 H  -0.5005000     -0.6559000      0.6489000    
 H  -0.7529000       1.101300      0.7281000    
 H    4.681200      -1.004400      0.2479000    
 H    3.686700      -1.337400       1.695400    
 H    4.147200      0.3259000       1.292700    
 H    1.966800      -1.822700      -1.514500    
 H    1.327500      -2.195600      0.1161000    
 H    2.999600      -2.622600     -0.3225000    
 H   -2.127600      9.7800002E-02  -1.528400    
 H   -5.266600     -0.4912000      8.1500001E-02
 H   -4.296100      -1.027100      -1.308700    
 H   -4.630400      0.7111000      -1.069000    


%chk=000019311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019311

0 1
S 0.075358 -1.536267 0.828866
S 1.061314 1.415559 0.413486
O -3.773654 -1.201462 0.315537
N 2.523478 -0.857250 -0.067274
N -2.024003 0.329510 0.430761
C -1.322998 -0.369724 1.466688
C 1.348894 -0.282713 0.347534
C 3.659099 -0.043703 -0.551593
C 2.727873 -2.324928 -0.063932
C -3.213228 -0.151370 -0.118202
C -3.792729 0.685255 -1.252683
H -2.003208 -1.062270 1.984751
H -0.814612 0.329572 2.145715
H 3.967538 -0.393057 -1.553857
H 4.515548 -0.132065 0.142772
H 3.348652 1.010120 -0.606206
H 2.062764 -2.822223 -0.794245
H 2.526320 -2.748502 0.936205
H 3.774122 -2.535009 -0.334184
H -1.528546 1.130357 0.023324
H -3.917455 0.044590 -2.142601
H -3.168514 1.554644 -1.519822
H -4.797111 1.040136 -0.963541


