%chk=000079520.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079520

0 1
 S    2.012100      0.9968000      0.4855000    
 N   -1.857800     -5.3399999E-02 -0.1706000    
 N    4.170700     -0.4585000      0.8968000    
 N    3.511700     -0.2094000      -1.357500    
 C  -0.7153000      0.7179000      0.3180000    
 C   -3.112300      0.5963000      0.2072000    
 C   -1.812600      -1.419300      0.3499000    
 C   0.5835000      4.9500000E-02 -0.1151000    
 C   -3.176600       2.017600     -0.3256000    
 C   -2.959000      -2.253300     -0.1964000    
 C    3.355600      1.5699999E-02 -9.2100002E-02
 H  -0.7510000      0.8220000       1.410900    
 H  -0.7086000       1.723700     -0.1158000    
 H   -3.965600      7.4800000E-02 -0.2385000    
 H   -3.259700      0.6041000       1.294600    
 H  -0.9187000      -1.948500      1.0800000E-02
 H   -1.821300      -1.444800       1.446700    
 H   0.6306000     -3.4699999E-02  -1.205900    
 H   0.7201000     -0.9419000      0.3205000    
 H   -2.552900       2.709700      0.2486000    
 H   -2.893100       2.070800      -1.382500    
 H   -4.204200       2.390700     -0.2467000    
 H   -3.917300      -2.003400      0.2694000    
 H   -3.053900      -2.152100      -1.283100    
 H   -2.777200      -3.312900      1.7200001E-02
 H    4.976400      -1.036400      0.6835000    
 H    3.992800     -0.2475000       1.872700    
 H    2.769500      0.2701000      -1.877500    


%chk=000079520-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079520

0 1
S 2.055361 0.735244 0.995355
N -1.931727 -0.116722 0.200762
N 4.627641 0.080359 0.515956
N 3.276500 -0.517829 -1.303279
C -0.733690 0.423714 0.889147
C -3.127260 0.762037 0.305781
C -2.205267 -1.537866 0.551016
C 0.528966 0.110581 0.063949
C -3.032053 2.010046 -0.592440
C -2.955643 -2.299615 -0.558084
C 3.398731 -0.002687 -0.114880
H -0.621813 0.015647 1.921697
H -0.835035 1.519202 0.988438
H -4.005985 0.169815 -0.007838
H -3.315866 1.070140 1.365356
H -1.232093 -2.035315 0.722334
H -2.770896 -1.615279 1.513939
H 0.467909 0.618054 -0.912865
H 0.646847 -0.976072 -0.087965
H -2.170585 2.648148 -0.322622
H -2.914398 1.709284 -1.647950
H -3.945965 2.625697 -0.497311
H -3.947336 -1.857909 -0.763954
H -2.373347 -2.277928 -1.495565
H -3.114485 -3.353503 -0.262441
H 5.447501 -0.226724 -0.003939
H 4.709398 0.335788 1.495898
H 2.340491 -0.472708 -1.733495


