%chk=000178589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178589

0 1
 S  -0.6725000      -1.622000     -0.4672000    
 P   0.1387000     -0.2021000      0.8432000    
 O   0.1891000      -2.804600     -0.1364000    
 N    1.650900      1.3400000E-02  0.1016000    
 N  -0.7954000       1.147100      0.4074000    
 C    2.664700      -1.019600      0.3143000    
 C    2.338700       1.281700      0.3441000    
 C   -1.031600       1.362500      -1.020300    
 C   -2.105700       1.298700       1.040100    
 C    3.905800     -0.4326000     -0.3406000    
 C    3.710000       1.076700     -0.2849000    
 C   -2.035700       2.506500      -1.053300    
 C   -2.710900       2.489100      0.3118000    
 C   -2.305600      -1.919100      0.2496000    
 C   -2.940400      -3.175800     -0.3095000    
 H    2.432900      -1.980800     -0.1508000    
 H    2.854700      -1.187600       1.383000    
 H    2.456300       1.480200       1.418200    
 H    1.836500       2.142500     -0.1104000    
 H   -1.506600      0.5310000      -1.549300    
 H  -0.1240000       1.638600      -1.568700    
 H   -2.005900       1.528900       2.108000    
 H   -2.785100      0.4575000      0.9646000    
 H    3.982300     -0.7562000      -1.385500    
 H    4.820000     -0.7436000      0.1748000    
 H    4.494700       1.564000      0.3029000    
 H    3.741600       1.493100      -1.298400    
 H   -2.762300       2.380900      -1.862900    
 H   -1.528900       3.466700      -1.204400    
 H   -2.494000       3.422300      0.8450000    
 H   -3.798500       2.399200      0.2243000    
 H   -2.245600      -1.971700       1.340000    
 H   -2.959300      -1.106800     -6.3000001E-02
 H   -3.021800      -3.131100      -1.401000    
 H   -2.352500      -4.063800     -5.4299999E-02
 H   -3.946800      -3.308500      0.1003000    


%chk=000178589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178589

0 1
S -1.440435 -1.311350 -0.900661
P -0.607992 0.309015 1.200685
O 0.141039 -1.575301 -1.475888
N 1.031311 0.009312 0.715706
N -0.968635 1.863938 0.466068
C 1.707892 -1.254905 1.141985
C 1.890705 0.800134 -0.210440
C -0.882736 2.210792 -0.985367
C -1.953721 2.750634 1.166469
C 2.938051 -1.342112 0.210846
C 3.282870 0.144339 -0.056483
C -2.157739 3.045439 -1.240646
C -2.342774 3.803541 0.097789
C -1.835869 -2.908144 0.155370
C -1.297789 -4.131013 -0.590160
H 1.047063 -2.126943 1.008045
H 2.009259 -1.182223 2.208755
H 1.881118 1.867373 0.078742
H 1.526248 0.695356 -1.248094
H -0.834528 1.296366 -1.601912
H 0.024004 2.813831 -1.194533
H -1.503435 3.214520 2.063191
H -2.846966 2.176810 1.492831
H 2.632291 -1.832444 -0.728822
H 3.769913 -1.904870 0.668440
H 3.822848 0.579446 0.805625
H 3.901042 0.283864 -0.959739
H -3.018361 2.376616 -1.426731
H -2.050103 3.721910 -2.105924
H -1.652627 4.666100 0.143623
H -3.369465 4.179747 0.244323
H -1.363149 -2.775089 1.142934
H -2.933715 -2.901513 0.270255
H -1.882136 -4.339101 -1.503676
H -0.251431 -3.941313 -0.896722
H -1.324250 -5.028057 0.056414


