%chk=000044105.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044105

0 1
 O    1.617600     -0.2342000     -3.8699999E-02
 O   -1.983300       1.818400     -0.9380000    
 O   0.4881000       1.594400      0.7494000    
 O   -1.573200      -2.420600     -0.1278000    
 N  -0.6501000     -0.3863000      0.3399000    
 N  -0.5092000      -1.791900     -0.1297000    
 C   -1.960700      0.1026000      0.7394000    
 C   -2.711700      0.7069000     -0.4330000    
 C   0.4872000      0.4212000      0.3806000    
 C    2.828800      0.5303000     -2.6799999E-02
 C    3.966500     -0.3408000     -0.5152000    
 H   -1.807800      0.8784000       1.499400    
 H   -2.540100     -0.6978000       1.211400    
 H   -3.697500       1.056700     -0.1115000    
 H   -2.839700     -1.9700000E-02  -1.241700    
 H    2.718300       1.398600     -0.6858000    
 H    3.035200      0.8705000      0.9940000    
 H    4.909400      0.2129000     -0.5190000    
 H    4.077200      -1.223600      0.1231000    
 H    3.765700     -0.7044000      -1.528400    
 H   -2.495700       2.181600      -1.680300    


%chk=000044105-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044105

0 1
O 1.597383 -0.200412 -0.056406
O -1.952622 1.660115 -1.191750
O 0.570809 1.466050 1.227607
O -1.675975 -2.310433 -0.076841
N -0.665517 -0.370636 0.431523
N -0.545645 -1.721166 0.011495
C -1.976465 0.238402 0.749690
C -2.753828 0.632845 -0.514062
C 0.533075 0.394812 0.582068
C 2.909280 0.510539 0.106948
C 3.929150 -0.284391 -0.698828
H -1.776310 1.129264 1.364702
H -2.567274 -0.497670 1.323502
H -3.739860 1.033421 -0.196270
H -2.915909 -0.253600 -1.157802
H 2.785808 1.545832 -0.257607
H 3.149390 0.545419 1.184967
H 4.922870 0.191208 -0.610158
H 4.003230 -1.320604 -0.328433
H 3.650901 -0.314737 -1.765699
H -2.357493 1.878942 -2.067347


