%chk=000022442.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022442

0 1
 O   -1.906800      -1.594200      -1.133900    
 O   -2.793800      -1.419600      0.8745000    
 N   -2.085900      -1.018700     -5.5300001E-02
 C    1.064400      4.8500001E-02 -0.2444000    
 C    2.428700     -3.5399999E-02  0.4451000    
 C  -7.1699999E-02  0.1088000      0.7832000    
 C    3.600500     -0.1112000     -0.5358000    
 C   -1.411800      0.2274000      0.1340000    
 C    4.956400     -0.2206000      0.1441000    
 C   -2.111400       1.296200     -0.2675000    
 C   -1.668600       2.718900     -0.1440000    
 H   0.9334000     -0.8238000     -0.8965000    
 H    1.037000      0.9372000     -0.8873000    
 H    2.561500      0.8391000       1.094200    
 H    2.450200     -0.9186000       1.095800    
 H  -3.2499999E-02 -0.7750000       1.433400    
 H   8.7300003E-02  0.9659000       1.449500    
 H    3.466000     -0.9770000      -1.195200    
 H    3.595600      0.7791000      -1.175900    
 H    5.142600      0.6472000      0.7845000    
 H    5.011100      -1.122000      0.7626000    
 H    5.754200     -0.2707000     -0.6034000    
 H   -3.096700       1.166700     -0.7139000    
 H  -0.6652000       2.818400      0.2785000    
 H   -1.664700       3.190700      -1.131600    
 H   -2.364500       3.270000      0.4959000    


%chk=000022442-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022442

0 1
O -3.169925 -1.130802 -0.837904
O -1.327522 -2.100907 0.081718
N -2.021586 -1.060307 -0.249824
C 1.094251 0.027698 -0.240767
C 2.456353 -0.032905 0.484524
C -0.086143 0.244750 0.748448
C 3.645996 -0.226768 -0.483646
C -1.435812 0.282558 0.074651
C 5.005659 -0.297689 0.244622
C -2.175608 1.366936 -0.293250
C -1.791880 2.807039 -0.096371
H 0.929904 -0.915090 -0.796257
H 1.103614 0.848086 -0.986668
H 2.609621 0.898545 1.069810
H 2.443426 -0.865324 1.218190
H -0.074601 -0.571108 1.493504
H 0.064849 1.193320 1.295853
H 3.489772 -1.155323 -1.069029
H 3.659730 0.605355 -1.216824
H 5.200923 0.631113 0.813523
H 5.026841 -1.140256 0.961270
H 5.839169 -0.439185 -0.467520
H -3.137419 1.165481 -0.784650
H -0.817708 2.935466 0.401056
H -1.752788 3.325774 -1.074163
H -2.563816 3.330843 0.500305


