%chk=000037972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037972

0 1
 O    1.844800       1.824400     -0.5067000    
 O   -1.705300      -2.154800      -1.834500    
 O   -1.171400       1.560000       1.975400    
 O   -3.669600       1.168200       1.014300    
 O    2.805300       3.859800     -2.2399999E-02
 N    1.962500      -3.058200       1.565500    
 N   0.8957000      -1.575600     -0.6723000    
 N    2.265000       3.284600      -2.182000    
 C    2.689100      -2.078400      0.7665000    
 C    2.182800      -3.340600      0.1528000    
 C    1.997300     -0.9380000      8.8900000E-02
 C    1.111200      -3.011600     -0.8474000    
 C    1.279400      7.8400001E-02   1.022500    
 C  -0.2982000     -0.9516000     -0.3799000    
 C  -0.1533000     -1.0400000E-02  0.5531000    
 C    1.873300       1.474800      0.8649000    
 C   -1.598500      -1.292500     -0.9689000    
 C   -1.299100      0.7309000       1.081100    
 C   -2.785200     -0.5173000     -0.4697000    
 C   -2.634200      0.4216000      0.4886000    
 C   -4.082300     -0.8921000      -1.133900    
 C    2.345700       3.059500     -0.8301000    
 C   -3.855100       2.358700      0.2742000    
 H    3.741900      -1.951100      0.9612000    
 H    2.856300      -4.141600     -0.1032000    
 H    2.692100     -0.4677000     -0.6166000    
 H    1.003900      -2.752200       1.726500    
 H    1.462100      -3.209700      -1.865000    
 H   0.2093000      -3.601900     -0.6559000    
 H    1.345000     -0.2256000       2.074000    
 H    2.912400       1.469400       1.216000    
 H    1.311300       2.210200       1.451300    
 H   -4.930900     -0.3398000     -0.7184000    
 H   -4.289700      -1.958600     -0.9966000    
 H   -4.038800     -0.6773000      -2.206600    
 H   -4.680800       2.915700      0.7271000    
 H   -4.124100       2.147300     -0.7665000    
 H   -2.963400       2.994500      0.3073000    
 H    1.875600       2.590200      -2.810700    
 H    2.592000       4.152100      -2.593800    


%chk=000037972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037972

0 1
O 1.562513 2.298272 -0.568155
O -1.443869 -2.252751 -2.006584
O -1.469151 1.780756 1.784485
O -3.931433 1.023532 0.384833
O 3.838619 1.785609 -0.961445
N 1.625757 -2.905308 1.608005
N 1.023451 -1.326237 -0.694544
N 2.481036 2.815047 -2.576161
C 2.577653 -1.880102 1.024708
C 2.228196 -3.140507 0.237711
C 2.004387 -0.679278 0.260025
C 1.409306 -2.726710 -0.998885
C 1.164613 0.403901 1.031083
C -0.241311 -0.831612 -0.460494
C -0.243997 0.184412 0.488314
C 1.677988 1.846589 0.843004
C -1.490880 -1.298873 -1.151508
C -1.441259 0.871693 0.870272
C -2.730069 -0.600424 -0.794984
C -2.708693 0.432656 0.142060
C -4.014698 -1.020995 -1.470640
C 2.735752 2.258932 -1.344995
C -4.142941 2.158596 1.316129
H 3.523279 -1.755387 1.558024
H 2.900328 -3.998294 0.156659
H 2.827405 -0.206225 -0.307208
H 0.631292 -2.604396 1.559206
H 2.048259 -2.767392 -1.901247
H 0.507966 -3.331525 -1.187077
H 1.193369 0.221366 2.125285
H 2.732506 1.935861 1.160214
H 1.034241 2.539711 1.406525
H -4.456274 -0.183935 -2.042200
H -4.772436 -1.330515 -0.728358
H -3.816252 -1.858133 -2.158312
H -5.215431 2.380691 1.202916
H -3.522001 3.022353 1.032051
H -3.897987 1.868610 2.349056
H 1.556153 3.178061 -2.794445
H 3.228713 2.845650 -3.263222


