%chk=000063682.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063682

0 1
 S    1.208200      -1.163700      -1.633700    
 O   -2.834500      -2.147600       1.289600    
 N    4.529100       1.001100      0.6893000    
 N  -0.9852000      -1.709600     -8.2900003E-02
 N  -0.7680000      0.4385000      -1.097700    
 C    3.775800     -0.8650000     -0.7129000    
 C    4.719300     -0.4161000      0.4034000    
 C    2.319600     -0.6269000     -0.3200000    
 C  -0.3237000     -0.7566000     -0.8686000    
 C   -2.718600     -3.5999998E-02  0.3017000    
 C   -1.984000      0.8216000     -0.5196000    
 C   -2.196700      -1.394900      0.5579000    
 C    4.835400       1.810600     -0.4913000    
 C    5.362700       1.415500       1.819100    
 C  -0.4441000      -3.050800      0.1552000    
 C   -3.928500      0.3800000      0.8694000    
 C   -2.476700       2.108000     -0.7678000    
 C   -4.407400       1.664100      0.6135000    
 C   -3.682700       2.527700     -0.2047000    
 H    4.020400     -0.3912000      -1.670100    
 H    3.935000      -1.941000     -0.8664000    
 H    5.755800     -0.6339000      0.1150000    
 H    4.504900      -1.010400       1.300900    
 H    2.126800      0.4345000     -0.1366000    
 H    2.085900      -1.172200      0.6003000    
 H    4.084700       1.695300      -1.278800    
 H    5.826100       1.588600     -0.9047000    
 H    4.814100       2.877100     -0.2356000    
 H    5.179800       2.466700       2.068300    
 H    6.431700       1.289700       1.612200    
 H    5.113500      0.8351000       2.714500    
 H  -0.2335000      -3.531900     -0.8046000    
 H   -1.137000      -3.682700      0.7164000    
 H   0.4870000      -2.961800      0.7219000    
 H   -4.509300     -0.2783000       1.509300    
 H   -1.921000       2.793500      -1.403300    
 H   -5.345800       1.991000       1.051800    
 H   -4.055400       3.528100     -0.4041000    


%chk=000063682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063682

0 1
S 1.443409 -2.636499 0.547702
O -3.503287 -2.191989 -0.515668
N 4.227003 1.285819 0.694436
N -1.205570 -2.261808 -0.017512
N 0.086641 -0.256091 0.336406
C 3.375943 -0.795481 -0.475576
C 4.557544 0.169566 -0.223259
C 2.781672 -1.322800 0.837973
C -0.018469 -1.569622 0.262970
C -2.332275 -0.089369 -0.165624
C -1.068785 0.515355 0.133162
C -2.439940 -1.555030 -0.256308
C 3.175082 2.180278 0.168042
C 5.434185 2.032520 1.101847
C -1.242163 -3.740512 -0.081199
C -3.481819 0.717725 -0.371720
C -0.985609 1.933353 0.226063
C -3.384325 2.115265 -0.280378
C -2.130498 2.719935 0.021461
H 2.578271 -0.299805 -1.057051
H 3.748363 -1.636202 -1.091755
H 4.924884 0.543533 -1.216516
H 5.393310 -0.396450 0.234012
H 2.317394 -0.517603 1.425040
H 3.531366 -1.844591 1.457862
H 2.240297 1.616085 0.011402
H 3.460448 2.669448 -0.798912
H 2.972470 2.976357 0.907257
H 5.161760 2.801100 1.847159
H 5.947726 2.546802 0.248808
H 6.160084 1.343875 1.570718
H -0.557410 -4.109470 -0.863930
H -2.276835 -4.024652 -0.324876
H -0.953009 -4.175996 0.890677
H -4.429476 0.218464 -0.598637
H -0.017115 2.382935 0.464419
H -4.268922 2.740860 -0.438121
H -2.058647 3.810794 0.095928


