%chk=000173990.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173990

1 1
 S    1.984400       1.859200      0.4822000    
 N    3.398000     -0.1159000     -0.3588000    
 N   -1.323000     -0.9045000      0.2261000    
 C    4.330800       1.047700     -0.4538000    
 C    3.778500       2.137700      0.4559000    
 C    2.221000      0.1801000      6.4499997E-02
 C    3.862900      -1.452300     -0.7846000    
 C    4.452500      -2.178700      0.4053000    
 C    1.081800     -0.7193000      0.2435000    
 C  -0.1516000     -0.2293000      9.9200003E-02
 C   -2.632800     -0.4203000      8.1500001E-02
 C   -3.723500      -1.278300      0.2519000    
 C   -2.855600      0.9233000     -0.2344000    
 C   -5.024800     -0.7973000      0.1075000    
 C   -4.157000       1.404300     -0.3786000    
 C   -5.241600      0.5439000     -0.2076000    
 H    4.351400       1.359200      -1.504000    
 H    5.332300      0.7335000     -0.1445000    
 H    4.161500       2.021300       1.475400    
 H    4.030400       3.139800      9.8700002E-02
 H    3.021100      -2.004700      -1.214000    
 H    4.610600      -1.314300      -1.572700    
 H    3.714800      -2.315600       1.203500    
 H    4.806300      -3.169700      0.1029000    
 H    5.303700      -1.634600      0.8290000    
 H    1.254800      -1.768700      0.4515000    
 H  -0.2935000      0.8019000     -0.1808000    
 H   -1.241900      -1.887700      0.4646000    
 H   -3.570000      -2.326300      0.4977000    
 H   -2.059600       1.644900     -0.3786000    
 H   -5.869300      -1.467100      0.2406000    
 H   -4.327100       2.448800     -0.6235000    
 H   -6.254800      0.9185000     -0.3198000    


%chk=000173990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173990

1 1
S 2.153525 2.119600 -0.451397
N 3.554427 -0.133320 -0.421209
N -1.297119 -0.789786 -0.252391
C 4.601910 0.920167 -0.570868
C 4.009836 2.233282 -0.035395
C 2.266726 0.302139 -0.395034
C 3.966706 -1.564306 -0.394558
C 4.086296 -2.120778 1.039130
C 1.121622 -0.531140 -0.353914
C -0.178586 -0.026177 -0.228288
C -2.654200 -0.361894 -0.071533
C -3.676144 -1.294444 -0.380748
C -2.983064 0.931241 0.406642
C -5.028299 -0.928869 -0.223077
C -4.339721 1.286088 0.552519
C -5.366158 0.363649 0.239405
H 4.874595 1.005089 -1.640803
H 5.499711 0.629966 0.000742
H 4.102889 2.332662 1.055751
H 4.415679 3.119419 -0.542154
H 3.250340 -2.155527 -0.991881
H 4.937948 -1.628633 -0.915267
H 3.121982 -2.073649 1.573510
H 4.408980 -3.175766 1.001344
H 4.833863 -1.560223 1.626811
H 1.266054 -1.615104 -0.424920
H -0.337548 1.049530 -0.100111
H -1.183653 -1.793827 -0.433104
H -3.420424 -2.295259 -0.751064
H -2.211084 1.655185 0.686331
H -5.814708 -1.650667 -0.463724
H -4.595986 2.283329 0.923763
H -6.415695 0.647520 0.361294


