%chk=000064394.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064394

0 1
 O   -1.026400      0.9991000      -1.134700    
 O   0.9905000     -0.5747000      -1.095300    
 O   0.5787000       2.971200       1.401800    
 O   -1.767500       3.698000      0.2683000    
 N    2.417800      0.9901000     -0.1302000    
 N   -2.938000      0.2828000      8.9599997E-02
 N   -3.405500      -1.585600       1.216200    
 N   -5.029400      0.5760000      -1.111600    
 N   -6.615800      -1.200600     -0.5798000    
 N   -6.098500      -2.970700      0.9453000    
 C    3.605500      0.1643000     -7.4000001E-02
 C    5.266300      -1.166200      -1.438500    
 C    6.037100      8.2599998E-02  0.6118000    
 C    4.592800      -1.969900      0.8547000    
 C    4.005000     -0.2851000      -1.496600    
 C    4.773700      0.9603000      0.5481000    
 C    3.333100      -1.087200      0.7907000    
 C    6.417300     -0.3615000     -0.8110000    
 C    4.980500      -2.402900     -0.5695000    
 C    5.747300      -1.160700       1.469900    
 C    1.211600      0.5438000     -0.6383000    
 C   0.1456000       1.585200     -0.5551000    
 C  -0.2243000       1.935800      0.8721000    
 C   -1.675100       2.350500      0.7306000    
 C   -2.178900       1.440700     -0.3865000    
 C   -4.212500     -6.4999998E-02 -0.2623000    
 C   -2.496800     -0.6625000      0.9792000    
 C   -4.482800      -1.224500      0.4468000    
 C   -5.738600      -1.794800      0.2646000    
 C   -6.212600     -6.8700001E-02  -1.206100    
 H    5.544500      -1.480900      -2.450500    
 H    6.861300      0.6533000       1.053900    
 H    4.393600      -2.854800       1.469500    
 H    4.192000      0.5909000      -2.131800    
 H    3.208900     -0.8543000      -1.988400    
 H    4.507200       1.303400       1.556500    
 H    4.976800       1.863600     -4.1999999E-02
 H    2.508800      -1.690900      0.3960000    
 H    3.035700     -0.7889000       1.804800    
 H    7.328300     -0.9719000     -0.7817000    
 H    6.641700      0.5160000      -1.429900    
 H    4.171000      -2.994400      -1.014600    
 H    5.866100      -3.049400     -0.5360000    
 H    6.646500      -1.785100       1.539600    
 H    5.489500     -0.8583000       2.492300    
 H    2.480100       1.942900      0.2178000    
 H   0.4404000       2.459600      -1.147200    
 H  -0.1274000       1.064300       1.527400    
 H   -2.232000       2.285300       1.670200    
 H   -2.825200       1.981600      -1.086700    
 H   0.2125000       3.209000       2.270600    
 H   -2.712300       3.908900      0.1749000    
 H   -1.509900     -0.6458000       1.416900    
 H   -6.940000      0.3800000      -1.874200    
 H   -5.446000      -3.415800       1.576500    
 H   -7.017300      -3.365500      0.7968000    


%chk=000064394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064394

0 1
O -1.038554 1.334679 -1.779378
O 0.915660 -0.617445 -1.338020
O 0.325655 3.092407 1.120485
O -1.909009 3.799878 -0.085528
N 2.354034 0.959739 -0.356337
N -2.787741 0.187927 -0.601367
N -3.047611 -2.078881 -0.383277
N -4.917048 0.954523 0.429115
N -6.295709 -0.939314 1.184907
N -5.630114 -3.195769 0.947961
C 3.536866 0.087928 -0.098709
C 5.341807 -1.365547 -1.136634
C 5.899831 0.119528 0.840174
C 4.436417 -1.925849 1.166825
C 4.081310 -0.507357 -1.429974
C 4.636810 0.974480 0.548260
C 3.173951 -1.067721 0.880528
C 6.437449 -0.475229 -0.489831
C 4.968557 -2.519326 -0.166349
C 5.532022 -1.034630 1.812438
C 1.167676 0.555639 -0.924186
C 0.125459 1.697433 -0.950164
C -0.414569 2.018325 0.483881
C -1.905916 2.367104 0.229853
C -2.260477 1.510355 -1.012614
C -4.026732 0.000404 0.018353
C -2.241744 -1.093945 -0.828653
C -4.167275 -1.406948 0.145050
C -5.368005 -1.865750 0.761670
C -6.025530 0.388250 1.000109
H 5.718352 -1.787927 -2.088759
H 6.672340 0.765200 1.301816
H 4.165713 -2.746751 1.859300
H 4.330919 0.320641 -2.123127
H 3.293710 -1.118056 -1.905679
H 4.253672 1.417721 1.490874
H 4.894199 1.808571 -0.136409
H 2.375279 -1.686038 0.432854
H 2.781586 -0.635519 1.822913
H 7.349495 -1.073479 -0.293529
H 6.724234 0.339950 -1.184612
H 4.196435 -3.165987 -0.627684
H 5.856406 -3.153714 0.028451
H 6.433428 -1.639220 2.035824
H 5.167559 -0.620985 2.774328
H 2.385638 1.912339 0.026494
H 0.570856 2.617345 -1.375374
H -0.329625 1.140289 1.144436
H -2.569440 2.144133 1.082170
H -3.012232 2.004191 -1.653117
H -0.116213 3.939222 0.827862
H -2.828104 4.158233 -0.032989
H -1.263321 -1.211855 -1.296516
H -6.793411 1.082072 1.355546
H -4.955912 -3.891791 0.636264
H -6.504133 -3.470875 1.390975


