%chk=000178425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178425

0 1
 S   0.7407000      -2.022100     -0.5761000    
 O    2.110900       2.080000      0.4733000    
 O  -0.3309000       3.293100      -1.194700    
 N    2.586400     -0.1483000      6.8499997E-02
 N  -0.5068000       1.694900      0.4885000    
 N    3.376900      -2.261700     -0.3323000    
 C   0.2615000      0.6496000     -0.1513000    
 C  -0.2013000     -0.7370000      0.3183000    
 C    1.720600      0.9450000      0.1920000    
 C    3.997000     -2.7500000E-02  0.3081000    
 C    2.349100      -1.476400     -0.2656000    
 C   -1.690300     -0.9903000      0.1532000    
 C    4.543500      -1.404300     -2.3000000E-02
 C   -2.351200      -1.843500       1.034400    
 C   -2.390100     -0.3683000     -0.8787000    
 C  -0.7353000       2.929200     -9.3500003E-02
 C   -3.718200      -2.075900      0.8830000    
 C   -3.757200     -0.6007000      -1.029800    
 C   -4.421200      -1.454600     -0.1489000    
 C   -1.584300       3.818800      0.7745000    
 H   0.1787000      0.7665000      -1.239700    
 H   4.2199999E-02 -0.8402000       1.385000    
 H    4.161900      0.2440000       1.356400    
 H    4.422400      0.7598000     -0.3228000    
 H    5.209600      -1.365800     -0.8916000    
 H    5.104900      -1.821700      0.8192000    
 H  -0.8378000       1.532500       1.435600    
 H   -1.815200      -2.334100       1.842400    
 H   -1.908900      0.2826000      -1.600700    
 H   -4.235200      -2.741100       1.568600    
 H   -4.304100     -0.1216000      -1.836700    
 H   -5.485200      -1.636600     -0.2676000    
 H   -1.669600       4.808500      0.3175000    
 H   -2.582900       3.385400      0.8791000    
 H   -1.126700       3.924800       1.762200    


%chk=000178425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178425

0 1
S 0.710070 -1.938024 -0.819103
O 2.233967 1.841887 1.210880
O -1.295263 2.517204 -1.368281
N 2.681838 -0.193014 0.207857
N -0.412030 1.804984 0.665251
N 3.453503 -2.172042 -0.721081
C 0.357384 0.722360 0.059415
C -0.202893 -0.699924 0.366916
C 1.825406 0.844668 0.542181
C 4.146935 -0.142828 0.498714
C 2.407439 -1.441900 -0.444415
C -1.687723 -0.914043 0.163284
C 4.665529 -1.395414 -0.285926
C -2.406826 -1.677026 1.119227
C -2.370384 -0.412901 -0.975413
C -1.147909 2.688634 -0.119226
C -3.785085 -1.931859 0.948798
C -3.748080 -0.668556 -1.145002
C -4.459681 -1.428271 -0.187198
C -1.782990 3.853045 0.627076
H 0.319001 0.885209 -1.037704
H 0.083103 -1.010305 1.387683
H 4.315011 -0.212286 1.587566
H 4.562645 0.814192 0.145231
H 5.246938 -1.112386 -1.182100
H 5.301235 -2.045405 0.337945
H -0.130573 2.100560 1.603472
H -1.884082 -2.073881 1.998512
H -1.840255 0.199416 -1.711763
H -4.328292 -2.521163 1.695680
H -4.265826 -0.270287 -2.024219
H -5.528785 -1.625488 -0.324392
H -1.568705 4.787457 0.082684
H -2.879376 3.720302 0.635980
H -1.431344 3.950083 1.668271


