%chk=000129181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129181

0 1
 O   -2.310200       2.440900      -1.563800    
 O   -2.124800       3.570400      0.3856000    
 O    5.613800      -1.351000      9.5100001E-02
 O    6.317100       1.253300     -0.5732000    
 O   -5.646800     -0.1958000      0.4850000    
 N    1.021700     -3.1599998E-02  0.3969000    
 N   -3.661400      0.4520000     -0.5446000    
 C   -1.099100      0.1877000       1.014300    
 C   -2.359000      0.7671000       1.522300    
 C  -0.9062000      -1.143700      0.5506000    
 C   0.4327000      -1.255000      0.1693000    
 C   0.1041000      0.8466000      0.9076000    
 C   -3.237500       1.422900      0.4328000    
 C    2.359500      0.2889000      0.1522000    
 C   -1.744700      -2.268400      0.4182000    
 C   0.9771000      -2.439400     -0.3399000    
 C   -1.213900      -3.459800     -8.9500003E-02
 C   0.1263000      -3.541700     -0.4622000    
 C   -2.505600       2.580500     -0.2307000    
 C    3.328100     -0.7007000      0.2455000    
 C    2.698900       1.592800     -0.1800000    
 C    4.663400     -0.3797000      1.5000000E-03
 C   -4.835300     -0.2770000     -0.4335000    
 C    4.034200       1.913800     -0.4238000    
 C    5.016500      0.9276000     -0.3330000    
 C   -5.048900      -1.200700      -1.602700    
 H   -2.940900     -9.3999999E-03   2.035500    
 H   -2.124200       1.518200       2.288600    
 H   0.3587000       1.861800       1.183900    
 H   -4.136900       1.843300      0.8988000    
 H   -2.790000      -2.227100      0.7092000    
 H    1.978200      -2.539700     -0.7367000    
 H   -3.061600      0.2956000      -1.349900    
 H   -1.857000      -4.329300     -0.1973000    
 H   0.5111000      -4.470900     -0.8749000    
 H    3.127300      -1.689800      0.6400000    
 H    1.960900       2.382900     -0.2851000    
 H    4.302600       2.932800     -0.6895000    
 H   -5.755600      -1.987000      -1.323100    
 H   -5.454100     -0.6311000      -2.443300    
 H   -4.108300      -1.671400      -1.902700    
 H   -1.836700       3.209500      -1.947500    
 H    5.187300      -2.194700      0.3228000    
 H    6.858000      0.4516000     -0.4661000    


%chk=000129181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129181

0 1
O -2.421527 2.669635 -1.502327
O -2.071757 3.605931 0.592126
O 5.902045 -1.130328 0.570810
O 6.476900 1.250038 -0.568736
O -5.346808 -0.421325 0.699559
N 1.049453 -0.098711 0.321650
N -3.744499 0.585715 -0.637944
C -1.139631 0.158643 0.987499
C -2.410229 0.763664 1.524421
C -0.957871 -1.202252 0.508323
C 0.413385 -1.339335 0.092151
C 0.094722 0.792061 0.857728
C -3.297875 1.475897 0.436361
C 2.422493 0.229670 0.082889
C -1.832217 -2.315899 0.398839
C 0.906107 -2.538024 -0.473380
C -1.337763 -3.520002 -0.137193
C 0.013864 -3.624342 -0.581069
C -2.553895 2.689180 -0.104731
C 3.447795 -0.673893 0.469054
C 2.763414 1.469792 -0.509662
C 4.788473 -0.325966 0.239449
C -4.767516 -0.319873 -0.429108
C 4.116548 1.815108 -0.716166
C 5.137558 0.918512 -0.351919
C -5.135947 -1.189784 -1.625047
H -3.052958 -0.009426 1.980278
H -2.192115 1.519713 2.299842
H 0.388003 1.797492 1.154844
H -4.196752 1.842589 0.972826
H -2.873127 -2.238325 0.733013
H 1.935557 -2.624201 -0.834042
H -3.281727 0.659678 -1.544962
H -1.997260 -4.390970 -0.220620
H 0.366400 -4.566744 -1.015160
H 3.188787 -1.610862 0.974428
H 1.970672 2.156035 -0.822341
H 4.394836 2.768973 -1.172692
H -4.778309 -2.220532 -1.449938
H -6.233979 -1.230600 -1.713373
H -4.706975 -0.828629 -2.575472
H -1.913841 3.472477 -1.798115
H 5.637275 -1.979849 0.997331
H 7.049092 0.504368 -0.246724


