%chk=000014978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014978

0 1
 O    2.298800      0.3883000       1.029900    
 O    1.963700      -2.215700      -1.425400    
 O    4.151900      -1.867000      0.1480000    
 O    3.643400       2.827400      0.7057000    
 O   -3.630100       2.359500     -0.3463000    
 N   0.1446000     -0.1885000      0.2193000    
 N  -0.9555000      -2.324800      0.4294000    
 N   -3.378800      -2.172500      0.2492000    
 N   -4.517900     -0.1080000     -9.9600002E-02
 N   -1.682400       3.542500     -0.3950000    
 C    1.527900     -0.6342000      0.3698000    
 C    2.235700     -0.9141000     -0.9471000    
 C    3.687300     -0.7160000     -0.5574000    
 C    3.605900      0.4569000      0.4145000    
 C    3.742400       1.808100     -0.2733000    
 C  -0.9675000     -0.9922000      0.2522000    
 C  -0.2462000       1.113900      2.1100000E-02
 C   -2.087000     -0.1890000      7.1999997E-02
 C   -1.621400       1.142800     -7.3600002E-02
 C   -3.324200     -0.8316000      7.5400002E-02
 C   -2.383600       2.341100     -0.2824000    
 C   -2.207000      -2.826900      0.4132000    
 H    1.511900      -1.511500       1.028000    
 H    1.945700     -0.1898000      -1.717000    
 H    4.349500     -0.5577000      -1.413300    
 H    4.338200      0.3768000       1.226000    
 H    2.951600       1.977200      -1.010700    
 H    4.712500       1.900700     -0.7703000    
 H   0.4954000       1.898600     -4.0399998E-02
 H    2.271500      -2.851900     -0.7575000    
 H    5.067400      -1.688300      0.4232000    
 H    2.779300       2.732300       1.141700    
 H   -2.285100      -3.900100      0.5499000    
 H   -4.527300      0.8886000     -0.2371000    
 H   -5.392500     -0.6162000     -9.0599999E-02
 H  -0.6726000       3.617000     -0.3467000    
 H   -2.184500       4.413300     -0.5354000    


%chk=000014978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014978

0 1
O 2.251154 0.237106 1.042589
O 2.049696 -1.744628 -2.079097
O 4.074263 -1.997829 -0.377539
O 3.658762 2.566999 1.524136
O -3.820159 2.284408 -0.674791
N 0.131074 -0.168776 0.021105
N -0.957061 -2.216348 0.822043
N -3.402123 -2.085831 0.897727
N -4.612483 -0.175473 0.252416
N -1.905360 3.508413 -1.027515
C 1.491686 -0.653257 0.123118
C 2.313283 -0.632873 -1.202038
C 3.772757 -0.588095 -0.673717
C 3.682123 0.285166 0.594631
C 4.016942 1.768029 0.356731
C -0.999194 -0.934621 0.363249
C -0.294155 1.092280 -0.394066
C -2.155137 -0.135327 0.139420
C -1.695531 1.163529 -0.335758
C -3.408949 -0.786644 0.426965
C -2.539162 2.328536 -0.682355
C -2.204495 -2.713570 1.069530
H 1.432522 -1.677788 0.534660
H 2.080690 0.277500 -1.780881
H 4.481271 -0.182924 -1.422224
H 4.296415 -0.118069 1.421305
H 3.489201 2.132675 -0.553878
H 5.103125 1.907829 0.215737
H 0.437717 1.847037 -0.676991
H 2.529505 -2.532165 -1.703609
H 5.020950 -2.113352 -0.121590
H 2.758654 2.264261 1.819313
H -2.251065 -3.738942 1.448686
H -4.622507 0.794969 -0.112478
H -5.454090 -0.703720 0.476817
H -0.895668 3.626468 -1.010902
H -2.493653 4.304029 -1.271351


