%chk=000027391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027391

0 1
 O   -3.129800       1.946500     -2.0600000E-02
 O   -1.655100      -2.606800     -0.1919000    
 O   -3.716200     -0.7592000     -9.9100001E-02
 O    1.903100       2.039900      0.4097000    
 N    3.859700      0.4724000     -0.7551000    
 N    2.521600      0.1158000     -0.7306000    
 C    4.663300     -0.5582000     -9.9399999E-02
 C   0.2045000      0.5113000     -0.1169000    
 C    6.143200     -0.2193000     -0.2481000    
 C    4.273300     -0.6774000       1.371100    
 C  -5.6800000E-02 -0.8424000     -0.1573000    
 C  -0.8007000       1.454500     -7.1099997E-02
 C   -2.127600       1.024600     -6.5800004E-02
 C   -1.383700      -1.272300     -0.1519000    
 C   -2.419200     -0.3388000     -0.1063000    
 C    1.618200      0.9698000     -0.1224000    
 C   -4.544500     -0.3201000      -1.173200    
 C   -3.587600       2.343200       1.270500    
 C   -1.765800      -3.283400       1.058600    
 H    4.494100      -1.527000     -0.5881000    
 H    4.128400      0.5452000      -1.736000    
 H    6.429600     -0.1588000      -1.304000    
 H    6.765700     -0.9897000      0.2197000    
 H    6.385000      0.7398000      0.2238000    
 H    4.928600      -1.390900       1.883300    
 H    4.363300      0.2838000       1.890300    
 H    3.247700      -1.039700       1.498700    
 H   0.7261000      -1.594400     -0.1623000    
 H  -0.5826000       2.518500     -4.5299999E-02
 H    2.255500     -0.7279000      -1.227600    
 H   -5.118400      0.5595000     -0.8689000    
 H   -5.252300      -1.122400      -1.401800    
 H   -3.968500     -0.1049000      -2.080100    
 H   -3.976100       1.482400       1.823800    
 H   -4.395700       3.068000       1.139500    
 H   -2.778700       2.818500       1.834200    
 H  -0.8219000      -3.226500       1.610100    
 H   -1.992300      -4.334600      0.8606000    
 H   -2.577000      -2.857300       1.657300    


%chk=000027391-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027391

0 1
O -3.067457 2.073523 0.075385
O -1.572421 -2.653236 0.005621
O -3.739968 -0.734468 0.028449
O 2.061041 2.180588 0.410077
N 4.026124 0.468054 -0.753678
N 2.646418 0.194821 -0.702168
C 4.909284 -0.561537 -0.141348
C 0.322515 0.538120 -0.029295
C 6.363442 -0.186504 -0.489479
C 4.678900 -0.616615 1.380814
C 0.002301 -0.841131 0.010218
C -0.715568 1.498030 0.029787
C -2.058233 1.083370 0.078120
C -1.345308 -1.266564 0.052138
C -2.393273 -0.302889 0.046513
C 1.744151 1.055357 -0.066023
C -4.460493 -0.395233 -1.225939
C -3.930284 2.087941 1.280490
C -2.471957 -3.226180 1.032843
H 4.693960 -1.574937 -0.568874
H 4.325678 0.778786 -1.687762
H 6.533718 -0.177471 -1.583645
H 7.063617 -0.914787 -0.045040
H 6.598748 0.816291 -0.090884
H 5.301870 -1.406673 1.838612
H 4.934727 0.357045 1.833421
H 3.621049 -0.831854 1.614523
H 0.771056 -1.619841 0.045205
H -0.470995 2.563544 0.052123
H 2.279495 -0.648692 -1.163915
H -4.450112 0.696364 -1.392149
H -5.490064 -0.755177 -1.078666
H -3.992756 -0.918425 -2.079888
H -4.441447 1.117475 1.412454
H -4.662647 2.890047 1.103596
H -3.324361 2.322462 2.175743
H -2.039606 -3.075423 2.040807
H -2.516814 -4.301503 0.802845
H -3.473932 -2.770977 0.976369


