%chk=000121447.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121447

0 1
 O   0.8037000      -1.005500      -2.441300    
 O   0.4891000       2.496500      0.5480000    
 O  -0.8792000       3.587000     -0.8970000    
 O    4.934700     -0.1879000       1.008800    
 O   -4.143800      -1.056900      0.4409000    
 N   0.3890000      0.2662000     -0.5460000    
 N    1.277400      -2.958100     -0.3528000    
 N    3.910200       2.545300       1.359900    
 N   -6.366000      0.8700000      0.3871000    
 N    4.043600       3.178700       2.224300    
 N   -7.420800      0.6404000      0.4192000    
 C    1.887900      -1.627400     -0.3679000    
 C    3.316900      -1.728300     -0.9232000    
 C  -0.5302000       1.190100      -1.167200    
 C   0.9870000     -0.7698000      -1.248500    
 C   -1.983300      0.7104000      -1.093900    
 C    4.020600     -0.3680000      -1.118100    
 C   -2.548800      0.6280000      0.3383000    
 C   0.1614000      -3.000100      0.5782000    
 C  -0.3386000       2.552400     -0.5281000    
 C    4.247400      0.4445000      0.1590000    
 C   -4.017500      0.1973000      0.3694000    
 C  -0.4791000      -4.353700      0.6108000    
 C    3.730600       1.689500      0.1908000    
 C   -4.940100       1.180000      0.3444000    
 C  -0.5520000      -5.120400       1.704800    
 H    1.949400      -1.222700      0.6494000    
 H    3.290400      -2.218000      -1.907000    
 H    3.922300      -2.381700     -0.2815000    
 H  -0.2371000       1.293700      -2.218900    
 H   -2.060500     -0.2737000      -1.574000    
 H   -2.607800       1.396900      -1.680600    
 H   0.5738000      0.3683000      0.4478000    
 H    4.995300     -0.5547000      -1.594000    
 H    3.458100      0.2165000      -1.858500    
 H    1.974600      -3.640700     -5.3300001E-02
 H   -1.929300     -4.3499999E-02  0.9505000    
 H   -2.455400       1.610700      0.8211000    
 H  -0.6181000      -2.287900      0.2845000    
 H   0.4943000      -2.719800       1.585700    
 H  -0.9164000      -4.724500     -0.3131000    
 H    3.168400       2.096100     -0.6434000    
 H   0.6002000       3.375000      0.9701000    
 H   -4.655500       2.225800      0.2878000    
 H   -1.033900      -6.091200       1.663500    
 H  -0.1363000      -4.798400       2.653100    


%chk=000121447-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121447

0 1
O 0.639612 -1.003982 -2.411763
O 0.957042 3.077332 -0.462573
O -1.154137 3.676282 -1.207964
O 5.150674 -0.379103 1.066291
O -3.888493 -1.057666 0.062494
N 0.413609 0.424449 -0.602257
N 1.304424 -2.937076 -0.175209
N 4.027635 2.085220 1.858711
N -6.173849 0.319524 0.985053
N 4.394863 2.469419 2.910627
N -7.142942 -0.339581 1.089207
C 1.845549 -1.581700 -0.317035
C 3.245411 -1.656791 -0.978088
C -0.492488 1.304331 -1.346433
C 0.914182 -0.723771 -1.208764
C -1.982144 0.876879 -1.227974
C 3.959415 -0.284314 -1.070054
C -2.543442 0.977506 0.210932
C 0.003882 -3.077002 0.516261
C -0.308171 2.780196 -1.012839
C 4.346259 0.250882 0.314104
C -3.846118 0.178466 0.345506
C -0.430037 -4.526798 0.525072
C 3.711153 1.529080 0.694835
C -5.009912 0.941374 0.824218
C -0.734101 -5.231604 1.642901
H 1.943748 -1.057248 0.673680
H 3.116411 -2.081095 -1.989489
H 3.884250 -2.344588 -0.391199
H -0.218685 1.175379 -2.417728
H -2.050174 -0.169640 -1.572455
H -2.584310 1.502061 -1.911123
H 0.685480 0.650901 0.355752
H 4.899399 -0.419365 -1.637522
H 3.339066 0.444891 -1.621548
H 2.007116 -3.604104 0.165007
H -1.823291 0.513727 0.915480
H -2.687774 2.032177 0.505822
H -0.749713 -2.484964 -0.043187
H 0.020519 -2.681624 1.562510
H -0.489762 -5.000065 -0.465036
H 2.979569 2.045563 0.069446
H 1.008761 4.061956 -0.315500
H -4.976741 2.007637 1.047762
H -1.058836 -6.276747 1.591591
H -0.676310 -4.780004 2.641579


