%chk=000006843.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006843

0 1
 O  -0.8826000      0.3288000     -6.3199997E-02
 O    2.874100      -1.198900     -0.6609000    
 O   0.2515000      -1.121700      -1.444900    
 N   -4.474300     -0.4111000      0.3080000    
 N    4.743000       3.082500      0.4749000    
 C   -3.203500      0.2828000      0.5137000    
 C   -5.403600     -0.1093000       1.396100    
 C   -5.057400     -3.8400002E-02 -0.9804000    
 C   -2.092000     -0.3866000     -0.2788000    
 C   -5.735300       1.372700       1.439600    
 C   -6.348500     -0.7964000      -1.238600    
 C    1.409300      0.6824000     -0.4012000    
 C    2.687300      0.1236000     -0.3900000    
 C   0.2175000     -0.1478000     -0.7088000    
 C    3.476700      -1.990400      0.3608000    
 C    1.238300       2.038100     -0.1212000    
 C    2.973100      -3.420200      0.2364000    
 C    3.794400      0.9206000     -9.8800004E-02
 C    3.623500       2.276200      0.1813000    
 C    2.345500       2.835000      0.1702000    
 C    3.563200      -4.321900       1.305800    
 H   -2.905700      0.2510000       1.570800    
 H   -3.247100       1.346800      0.2467000    
 H   -6.318100     -0.7087000       1.335300    
 H   -4.950400     -0.4035000       2.351800    
 H   -5.211200       1.039000      -1.108000    
 H   -4.375700     -0.3341000      -1.785700    
 H   -1.963700      -1.424200      5.3500000E-02
 H   -2.302700     -0.3827000      -1.353000    
 H   -4.859500       2.015900       1.561200    
 H   -6.312700       1.714300      0.5762000    
 H   -6.369300       1.560300       2.315000    
 H   -6.233400      -1.869300      -1.049300    
 H   -7.184500     -0.4192000     -0.6421000    
 H   -6.636600     -0.6817000      -2.289700    
 H    4.565100      -1.960600      0.2354000    
 H    3.226300      -1.597500       1.354800    
 H   0.2572000       2.505400     -0.1353000    
 H    3.217700      -3.811400     -0.7584000    
 H    1.878500      -3.431400      0.3036000    
 H    4.793000      0.4900000     -9.8300003E-02
 H    2.199900       3.890900      0.3838000    
 H    4.655000      -4.353300       1.233600    
 H    3.294600      -3.970800       2.307300    
 H    3.185700      -5.342900       1.191600    
 H    5.669700       2.677700      0.4852000    
 H    4.619200       4.065000      0.6799000    


%chk=000006843-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006843

0 1
O -1.173639 0.402234 0.471886
O 2.619551 -1.563623 0.262835
O -0.126441 -1.673395 0.324480
N -4.902646 0.134654 0.300814
N 4.691498 2.861924 0.576596
C -3.561084 0.761140 0.389843
C -5.953182 0.833825 1.081255
C -5.277483 -0.231613 -1.088686
C -2.471080 -0.318378 0.460222
C -6.372275 2.239789 0.567545
C -6.458481 -1.217195 -1.162867
C 1.214659 0.394299 0.441597
C 2.531308 -0.179429 0.374363
C -0.018120 -0.425242 0.403520
C 3.952170 -2.194222 0.202711
C 1.127303 1.810980 0.552874
C 3.714507 -3.702364 0.094111
C 3.678098 0.647316 0.420171
C 3.555894 2.058806 0.532470
C 2.254784 2.638507 0.598706
C 5.043515 -4.487385 0.050791
H -3.507929 1.374334 1.308200
H -3.342635 1.442950 -0.465599
H -6.844968 0.181464 1.125722
H -5.585544 0.921853 2.121590
H -5.504102 0.669812 -1.713472
H -4.393384 -0.709836 -1.550133
H -2.568753 -0.924375 1.378082
H -2.499132 -1.005063 -0.405372
H -5.508218 2.928981 0.536325
H -6.806987 2.190168 -0.447462
H -7.133427 2.679853 1.238730
H -6.252464 -2.105124 -0.539515
H -7.403991 -0.762379 -0.816178
H -6.612681 -1.547416 -2.206660
H 4.509059 -1.813258 -0.679843
H 4.526219 -1.947214 1.121169
H 0.127798 2.249123 0.604184
H 3.115747 -3.902913 -0.812923
H 3.101510 -4.025144 0.955203
H 4.678107 0.206466 0.368029
H 2.141496 3.725091 0.685030
H 5.660158 -4.194178 -0.820145
H 5.643960 -4.316560 0.964498
H 4.852007 -5.572179 -0.025488
H 5.622745 2.458679 0.531273
H 4.608053 3.871239 0.655417


