%chk=000021421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021421

0 1
 O  -0.3731000      -2.828200      -1.259000    
 N  -5.2900001E-02  -1.383700      0.2703000    
 N  -0.6496000      -2.509800     -9.6299998E-02
 C  -0.8080000     -0.6371000       1.243200    
 C    1.331600      -1.594500      0.7442000    
 C   -1.884300      0.1384000      0.5612000    
 C    2.188200     -0.4409000      0.3195000    
 C   -1.632300       1.434800      0.1124000    
 C    2.848000     -0.4845000     -0.9049000    
 C   -3.142800     -0.4327000      0.3726000    
 C    2.318500      0.6660000       1.152400    
 C   -2.638900       2.160300     -0.5250000    
 C    3.646000      0.5892000      -1.300100    
 C   -4.149400      0.2926000     -0.2650000    
 C    3.116400       1.739800      0.7573000    
 C   -3.897400       1.589100     -0.7138000    
 C    3.780000       1.701300     -0.4690000    
 H  -0.2087000      8.5900001E-02   1.805300    
 H   -1.235900      -1.282700       2.025800    
 H    1.770800      -2.508100      0.3152000    
 H    1.378600      -1.749600       1.831700    
 H  -0.6562000       1.892000      0.2507000    
 H    2.749800      -1.344100      -1.562300    
 H   -3.357500      -1.439000      0.7223000    
 H    1.836300      0.7058000       2.124300    
 H   -2.442700       3.169600     -0.8749000    
 H    4.162600      0.5595000      -2.255000    
 H   -5.129700     -0.1515000     -0.4107000    
 H    3.226400       2.603000       1.407200    
 H   -4.681200       2.153900      -1.209900    
 H    4.402300       2.536700     -0.7760000    


%chk=000021421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021421

0 1
O 0.143734 -3.951004 0.038645
N -0.062602 -1.955205 1.083697
N -0.656604 -3.106148 0.588214
C -1.008172 -0.989885 1.691174
C 1.405405 -1.721693 1.034284
C -1.559241 0.054282 0.720467
C 1.804584 -0.435123 0.329359
C -1.345228 1.435246 0.941541
C 1.489800 -0.234458 -1.039267
C -2.331060 -0.357042 -0.395663
C 2.520693 0.570019 1.024112
C -1.892260 2.396055 0.060461
C 1.877789 0.952142 -1.695388
C -2.876989 0.600786 -1.277333
C 2.914989 1.758627 0.367150
C -2.659515 1.981059 -1.051266
C 2.592009 1.953506 -0.994611
H -0.493696 -0.496722 2.535092
H -1.836695 -1.596430 2.099452
H 1.809671 -2.611382 0.512229
H 1.791714 -1.725676 2.071847
H -0.739810 1.761567 1.796360
H 0.932636 -1.005464 -1.584767
H -2.498858 -1.427074 -0.568848
H 2.777328 0.421142 2.080958
H -1.716525 3.462722 0.239229
H 1.624025 1.098312 -2.751133
H -3.473871 0.273784 -2.136291
H 3.472310 2.526767 0.915195
H -3.084504 2.724432 -1.735142
H 2.893842 2.874360 -1.506056


