%chk=000046123.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046123

0 1
 O    2.902800     -6.3000000E-03 -0.6779000    
 O   0.3273000       2.984000      0.1270000    
 O    2.369700       2.273300     -0.2507000    
 O   -5.633800      0.4369000      0.5024000    
 O   -5.191800      -1.678200      0.1152000    
 O    3.320500      -1.447400       1.098300    
 N    1.142500       2.069200     -0.1231000    
 N   -4.822400     -0.4871000      0.2529000    
 N    5.057000     -0.3429000      2.7400000E-02
 C  -0.7157000      0.4431000     -0.1365000    
 C   -1.155400     -0.8937000     -0.2875000    
 C   0.6515000      0.7355000     -0.2688000    
 C    1.572000     -0.2756000     -0.5460000    
 C  -0.2149000      -1.898600     -0.5664000    
 C   -2.522700      -1.185900     -0.1552000    
 C   -1.656100       1.448100      0.1422000    
 C    1.139700      -1.590100     -0.6945000    
 C   -3.443200     -0.1748000      0.1221000    
 C   -3.010700       1.139600      0.2704000    
 C    3.735000     -0.6768000      0.2373000    
 C    6.148600     -0.8723000      0.8114000    
 H  -0.5304000      -2.932400     -0.6911000    
 H   -2.846900      -2.218600     -0.2738000    
 H   -1.526700       2.505100      0.2883000    
 H    1.838900      -2.387900     -0.9313000    
 H   -3.703700       1.949600      0.4863000    
 H    5.274300      0.3117000     -0.7176000    
 H    5.793200      -1.582400       1.561700    
 H    6.653000     -3.5999998E-02   1.301500    
 H    6.847000      -1.367700      0.1326000    


%chk=000046123-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046123

0 1
O 2.887331 -0.083232 -0.301890
O 0.734491 2.925305 -0.778237
O 2.075289 2.245848 0.936786
O -5.816217 0.612422 0.120649
O -5.394512 -1.625628 -0.026623
O 3.841831 -2.128421 0.513470
N 1.187241 2.023205 0.029993
N -5.011205 -0.393357 0.031119
N 5.100167 -0.178100 0.098924
C -0.784843 0.452594 -0.078422
C -1.261237 -0.917578 -0.134820
C 0.636285 0.653035 -0.083099
C 1.540004 -0.423878 -0.179239
C -0.319291 -1.994600 -0.223727
C -2.663708 -1.178454 -0.100753
C -1.747325 1.515989 0.013036
C 1.052829 -1.765611 -0.257119
C -3.555805 -0.111805 -0.006908
C -3.111826 1.242380 0.054205
C 3.969638 -0.937685 0.158822
C 6.419901 -0.709978 0.457643
H -0.697000 -3.021425 -0.275172
H -3.044333 -2.203175 -0.143589
H -1.407388 2.553546 0.034461
H 1.768099 -2.585588 -0.328566
H -3.854483 2.040753 0.124283
H 4.988537 0.805027 -0.155195
H 6.308294 -1.775549 0.711059
H 6.833874 -0.179357 1.333636
H 7.123962 -0.615283 -0.388126


