%chk=000121611.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121611

0 1
 S   -2.243000       1.006600      2.4000001E-03
 S   0.6507000       1.681300      2.6000000E-03
 O   -2.471900       1.690400       1.263700    
 O   -2.501700       1.686700      -1.255200    
 O    5.346400     -8.1000002E-03 -8.2000000E-03
 N    3.098200      0.7163000     -2.4000001E-03
 N  -0.1549000     -0.7513000     -3.7000000E-03
 N    1.227600     -0.8151000     -4.1999999E-03
 N    3.709900      -1.618900      1.5000000E-03
 C   -3.159200     -0.5013000     -6.0000003E-04
 C   -4.657300     -0.2393000      1.3000000E-03
 C   -5.448800      -1.545500      1.8800000E-02
 C  -0.5542000      0.4824000     -1.9999999E-04
 C   -6.947000      -1.289800     -1.8200001E-02
 C    1.771600      0.3831000     -1.4000000E-03
 C    3.560400       2.149600      1.3000000E-03
 C    4.145400     -0.2920000     -7.1999999E-03
 C    4.627700      -2.735100      9.7000003E-03
 H   -2.868100      -1.067600      0.8900000    
 H   -2.869900      -1.065000     -0.8935000    
 H   -4.930200      0.3665000      0.8740000    
 H   -4.932800      0.3460000     -0.8846000    
 H   -5.202600      -2.118100      0.9207000    
 H   -5.169500      -2.162100     -0.8435000    
 H   -7.230400     -0.7483000     -0.9264000    
 H   -7.493800      -2.237800     -3.5000001E-03
 H   -7.265800     -0.7003000      0.8473000    
 H    4.651600       2.210200      6.0000003E-04
 H    3.196600       2.643200      0.9075000    
 H    3.195200       2.648400     -0.9014000    
 H    2.723000      -1.838800      4.6300001E-02
 H    5.409900      -2.576100     -0.7372000    
 H    4.071800      -3.647800     -0.2164000    
 H    5.080000      -2.808500       1.002000    


%chk=000121611-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121611

0 1
S -2.405639 1.235995 -0.009890
S 0.771228 2.040152 -0.006693
O -2.730647 2.000208 1.395903
O -2.726960 1.974279 -1.430250
O 5.470600 -0.117753 0.010054
N 3.264729 0.729379 0.004620
N -0.141958 -0.479602 0.004082
N 1.250288 -0.612816 0.006986
N 3.693655 -1.636761 0.011699
C -3.253357 -0.521869 0.004581
C -4.765784 -0.311859 -0.003479
C -5.505897 -1.676921 0.003785
C -0.540416 0.775893 -0.002674
C -7.039085 -1.491734 -0.001097
C 1.903121 0.576098 0.002450
C 3.836786 2.095194 -0.002566
C 4.236821 -0.387109 0.013672
C 4.568763 -2.815934 0.016907
H -2.857764 -0.989065 0.920005
H -2.850704 -1.007339 -0.898134
H -5.068751 0.277438 0.883434
H -5.061042 0.263560 -0.902037
H -5.203475 -2.258642 0.897499
H -5.199267 -2.270034 -0.880953
H -7.370012 -0.937906 -0.899179
H -7.556295 -2.468246 0.004653
H -7.374229 -0.925162 0.887418
H 4.931181 1.981884 -0.000129
H 3.521757 2.653927 0.897302
H 3.524803 2.643332 -0.909937
H 2.657451 -1.722974 0.018335
H 5.387054 -2.691260 -0.712421
H 3.971725 -3.702028 -0.252687
H 5.026225 -2.978425 1.010643


