%chk=000018622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018622

0 1
 O  -0.2556000      -1.727600       1.990800    
 N   7.2999999E-02  -1.456300      -1.501600    
 N   0.4521000      -2.961900      0.1503000    
 C   5.4000001E-03 -0.6795000     -0.2357000    
 C   -1.316600      9.7499996E-02 -8.6199999E-02
 C    1.232400      0.2510000     -0.1362000    
 C   2.6400000E-02  -1.817000      0.8045000    
 C   0.7307000      -2.720300      -1.224900    
 C   -1.576000      0.8145000       1.082000    
 C    1.391700       1.294700      -1.047800    
 C   -2.254000      8.4600002E-02  -1.119200    
 C    2.182000      4.8599999E-02  0.8653000    
 C   -2.772700       1.518200       1.217300    
 C    2.500700       2.136100     -0.9579000    
 C   -3.450600      0.7884000     -0.9838000    
 C    3.290900      0.8901000      0.9551000    
 C   -3.709900       1.505200      0.1845000    
 C    3.450200       1.933700      4.3400001E-02
 H   0.5240000     -0.9467000      -2.257800    
 H    1.815700      -2.657400      -1.353200    
 H   0.3283000      -3.534300      -1.832400    
 H   0.5882000      -3.855400      0.6125000    
 H  -0.8569000      0.8478000       1.895700    
 H   0.6634000       1.468500      -1.835300    
 H   -2.094700     -0.4552000      -2.047200    
 H    2.107100     -0.7498000       1.595100    
 H   -2.973600       2.078400       2.125800    
 H    2.624900       2.948700      -1.667700    
 H   -4.180500      0.7798000      -1.788000    
 H    4.031300      0.7325000       1.734000    
 H   -4.641200       2.053900      0.2894000    
 H    4.313800       2.588600      0.1132000    


%chk=000018622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018622

0 1
O 0.362359 -1.610322 2.184064
N 0.421136 -1.435331 -1.454245
N 0.134051 -2.975848 0.273942
C 0.240747 -0.652380 -0.180034
C -1.153867 0.014796 -0.128857
C 1.379107 0.370674 -0.047103
C 0.267663 -1.766406 0.936665
C -0.039191 -2.817209 -1.190576
C -1.604548 0.610158 1.077818
C 1.296821 1.591004 -0.766195
C -1.979202 0.059216 -1.277104
C 2.548777 0.094361 0.705095
C -2.866051 1.240550 1.129270
C 2.365034 2.513219 -0.741209
C -3.242820 0.692096 -1.223127
C 3.615071 1.021353 0.735408
C -3.690826 1.284105 -0.020636
C 3.529366 2.231598 0.010660
H 1.405467 -1.403422 -1.751309
H 0.560751 -3.548544 -1.759547
H -1.106684 -2.934579 -1.464338
H -0.028409 -3.846100 0.781789
H -0.969329 0.567978 1.969570
H 0.389947 1.817458 -1.337273
H -1.605215 -0.391263 -2.202724
H 2.617876 -0.827631 1.290952
H -3.206811 1.697358 2.065359
H 2.287624 3.451330 -1.302244
H -3.874074 0.724790 -2.118848
H 4.508578 0.801367 1.330424
H -4.669921 1.774963 0.021588
H 4.356473 2.950063 0.036765


