%chk=000022731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022731

1 1
 S    3.276100       1.245000      0.5866000    
 N  -0.3571000      0.5745000     -0.4027000    
 N   -1.708800     -0.1020000       1.589300    
 N   -1.778200      -1.482100     -0.4615000    
 N   -2.851700      0.7454000     -0.4334000    
 C  -0.4446000      0.5129000       1.130600    
 C  -0.5140000     -0.8653000     -0.9175000    
 C   -1.586000       1.359400     -0.8893000    
 C   -1.796200      -1.472600       1.023600    
 C   -2.840500      0.6953000       1.051000    
 C   -2.908200     -0.6479000     -0.9446000    
 C   0.9318000       1.201500     -0.8682000    
 C    2.141200      0.4492000     -0.4030000    
 C    2.478100     -0.8463000     -0.6743000    
 C    3.708400      -1.205500     -5.2000001E-02
 C    4.249700     -0.1615000      0.6652000    
 H  -0.3460000       1.538100       1.510100    
 H   0.4046000     -6.6900000E-02   1.509700    
 H   0.2539000      -1.495000     -0.4824000    
 H  -0.4308000     -0.8575000      -2.010600    
 H   -1.540700       1.397700      -1.985200    
 H   -1.491900       2.387300     -0.5164000    
 H  -0.9768000      -2.090500       1.414200    
 H   -2.713200      -1.959000       1.381900    
 H   -3.789400      0.2767000       1.411800    
 H   -2.805000       1.714400       1.458000    
 H   -2.922700     -0.6415000      -2.042400    
 H   -3.859300      -1.110000     -0.6487000    
 H   0.9273000       2.240200     -0.5162000    
 H   0.9058000       1.220300      -1.964800    
 H    1.975000      -1.509900      -1.362800    
 H    4.185900      -2.172100     -0.1472000    
 H    5.173700     -0.1553000       1.226000    


%chk=000022731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022731

1 1
S 3.022654 0.912464 1.105981
N -0.379588 0.495864 -0.374681
N -1.807333 0.000767 1.611933
N -1.897297 -1.484831 -0.340271
N -2.862533 0.769529 -0.466105
C -0.515896 0.527037 1.213760
C -0.610284 -1.016595 -0.817494
C -1.615954 1.326575 -0.946416
C -1.954786 -1.422794 1.158239
C -2.918062 0.825459 1.033781
C -3.007349 -0.656084 -0.915718
C 0.949824 1.074314 -0.896173
C 2.179586 0.374947 -0.406804
C 2.887631 -0.655646 -1.020089
C 4.074420 -1.054530 -0.307478
C 4.290370 -0.323658 0.849729
H -0.394756 1.582113 1.515229
H 0.313394 -0.079385 1.610390
H 0.222873 -1.594870 -0.387364
H -0.557610 -1.027474 -1.920309
H -1.543507 1.272963 -2.046669
H -1.475950 2.366130 -0.602802
H -1.145221 -2.035164 1.587597
H -2.923992 -1.814793 1.501086
H -3.884873 0.427001 1.375742
H -2.820685 1.870796 1.370001
H -2.975731 -0.703675 -2.016735
H -3.973805 -1.049623 -0.567258
H 0.943523 2.145278 -0.619356
H 0.890978 1.010826 -1.999215
H 2.588112 -1.103231 -1.972815
H 4.749826 -1.842593 -0.645835
H 5.102423 -0.400115 1.570923


