%chk=000054785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054785

0 1
 O  -0.5860000       1.356900     -0.7605000    
 O    1.742600       3.091900     -0.9798000    
 O  -0.5155000       4.408600       1.233900    
 O    3.396500      -1.466700      -1.998000    
 O    4.259700      -2.457800      0.4505000    
 O   -4.996100      -2.588900       1.330100    
 O   -6.066200      -1.672500     -0.3534000    
 N   -5.044300      -1.787600      0.3658000    
 C  -0.1500000       2.239900      0.2753000    
 C    1.381400       2.390200      0.2124000    
 C    2.153300       1.089500      0.2729000    
 C  -0.8943000       3.566700      0.1492000    
 C    2.419600      0.4076000     -0.9013000    
 C    2.574900      0.6113000       1.501100    
 C    3.130400     -0.7913000     -0.8455000    
 C   -1.680100      0.5854000     -0.4843000    
 C    3.285600     -0.5874000       1.557000    
 C    3.563600      -1.288700      0.3836000    
 C   -2.823000      0.6983000      -1.270800    
 C   -1.644200     -0.3081000      0.5826000    
 C   -3.939200     -8.9100003E-02 -0.9882000    
 C   -2.760300      -1.095500      0.8650000    
 C   -3.907800     -0.9859000      7.9700001E-02
 C    2.433500      -2.429600      -2.422300    
 C    4.666000      -2.897000       1.745200    
 H  -0.3716000       1.823100       1.267400    
 H    1.721000       3.022700       1.043000    
 H  -0.6849000       4.070100     -0.8000000    
 H   -1.976900       3.409200      0.1996000    
 H    2.081000      0.7778000      -1.865000    
 H    2.359700       1.149800       2.419500    
 H    1.520600       4.029500     -0.8518000    
 H    3.589400     -0.9135000       2.545800    
 H   -2.851600       1.396100      -2.103000    
 H  -0.7519000     -0.4221000       1.191700    
 H   -1.008400       5.240700       1.132900    
 H   -4.815500      2.3200000E-02  -1.621500    
 H   -2.698400      -1.786700       1.701600    
 H    1.468700      -1.948700      -2.612700    
 H    2.319000      -3.216900      -1.670600    
 H    2.788200      -2.882400      -3.352100    
 H    5.365900      -2.193500       2.208900    
 H    3.804900      -3.112400       2.386900    
 H    5.205800      -3.840100       1.610800    


%chk=000054785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054785

0 1
O -0.890073 2.097360 -0.590802
O 1.952204 3.548877 -0.615728
O 0.242141 5.318601 0.667720
O 2.366250 -1.245126 -2.157809
O 3.036173 -2.696887 0.183674
O -3.159668 -3.527256 1.454220
O -3.836204 -3.529129 -0.726785
N -3.240706 -2.979140 0.283220
C -0.238211 2.946368 0.433240
C 1.326418 2.799684 0.477323
C 1.801103 1.360487 0.424321
C -0.666591 4.360954 -0.000166
C 1.873662 0.676810 -0.812413
C 2.148397 0.673975 1.607967
C 2.263629 -0.673895 -0.878433
C -1.427630 0.851781 -0.279019
C 2.547756 -0.681124 1.562525
C 2.613171 -1.365552 0.326464
C -2.097131 0.216128 -1.361161
C -1.357600 0.217815 0.990358
C -2.692593 -1.039099 -1.183139
C -1.959569 -1.039118 1.171662
C -2.620819 -1.659468 0.088559
C 1.644779 -2.513192 -2.399104
C 3.446174 -3.411406 1.395900
H -0.645085 2.709543 1.434612
H 1.616869 3.244923 1.452991
H -0.565984 4.428807 -1.099714
H -1.717700 4.545469 0.289914
H 1.635220 1.194177 -1.745344
H 2.125932 1.194141 2.573615
H 1.799174 4.511086 -0.403146
H 2.827418 -1.189190 2.490184
H -2.129338 0.728676 -2.326590
H -0.815207 0.670444 1.822842
H -0.089446 6.240554 0.537308
H -3.212469 -1.547273 -1.999227
H -1.916489 -1.553924 2.134945
H 0.560835 -2.378447 -2.214182
H 2.039544 -3.321808 -1.762953
H 1.817170 -2.736870 -3.462864
H 4.305232 -2.910995 1.882758
H 2.608038 -3.500382 2.113908
H 3.746327 -4.411279 1.049948


