%chk=000042804.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042804

0 1
 O    5.893000      1.2000001E-03  0.8282000    
 N  -0.2909000     -3.9999999E-04  -1.648400    
 N   -3.476600      9.9999997E-05   1.075600    
 N    3.577100      1.2000001E-03   1.271600    
 C   -1.371100     -9.9999997E-05 -0.7246000    
 C   -1.898200       1.214700     -0.2744000    
 C   -1.897900      -1.214700     -0.2739000    
 C   -2.965400       1.167200      0.6383000    
 C   -2.965300      -1.167100      0.6387000    
 C    1.099200     -1.1000000E-03  -1.473700    
 C   -1.388400       2.449900     -0.7108000    
 C   -1.388000      -2.450100     -0.7097000    
 C   -3.494500       2.373300       1.090200    
 C   -3.494100      -2.373000       1.091200    
 C    1.650500      6.0000003E-04 -0.1871000    
 C   -1.935100       3.641400     -0.2438000    
 C   -1.934400      -3.641600     -0.2421000    
 C   -2.990300       3.602700      0.6585000    
 C   -2.989700      -3.602500      0.6603000    
 C    1.950900     -2.2000000E-03  -2.584400    
 C    3.034400      1.0000000E-03 -1.3700000E-02
 C    3.334800     -1.8000000E-03  -2.411100    
 C    3.876700     -1.9999999E-04  -1.125700    
 C    4.930300      3.0000001E-04   1.587900    
 C    5.133200      8.9999998E-04   3.082900    
 H  -0.6021000     -3.7000000E-03  -2.615400    
 H  -0.5671000       2.516500      -1.419600    
 H  -0.5667000      -2.516900      -1.418500    
 H   -4.321800       2.369400       1.797600    
 H   -4.321500      -2.368800       1.798700    
 H    1.006100      1.5000000E-03  0.6893000    
 H   -1.540500       4.594100     -0.5832000    
 H   -1.539600      -4.594400     -0.5810000    
 H    1.543400     -3.3000000E-03  -3.592500    
 H   -3.424500       4.526700       1.029000    
 H   -3.423600      -4.526300       1.031300    
 H    3.989300     -2.7000001E-03  -3.278000    
 H    4.955700     -1.9999999E-04  -1.086900    
 H    2.909300      1.6000000E-03   2.039400    
 H    4.688800      0.9008000       3.517500    
 H    6.202600     -1.1500000E-02   3.311400    
 H    4.667700     -0.8861000       3.522000    


%chk=000042804-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042804

0 1
O 5.808160 0.013746 0.971136
N -0.320678 -0.008941 -1.867778
N -3.351723 -0.003122 1.213278
N 3.468516 0.010996 1.211842
C -1.311055 -0.007016 -0.828141
C -1.808034 1.224111 -0.309736
C -1.819528 -1.236259 -0.316520
C -2.844190 1.171010 0.721199
C -2.855665 -1.179195 0.714245
C 1.071895 -0.005320 -1.649214
C -1.334868 2.507330 -0.757015
C -1.357553 -2.521372 -0.770042
C -3.363591 2.406198 1.247596
C -3.386963 -2.412369 1.233430
C 1.611643 0.001244 -0.339103
C -1.859232 3.679164 -0.220325
C -1.893072 -3.691218 -0.240056
C -2.884575 3.628985 0.788690
C -2.918976 -3.637025 0.768170
C 1.957179 -0.008368 -2.765490
C 3.017253 0.004639 -0.140852
C 3.347796 -0.004927 -2.547628
C 3.903921 0.001589 -1.249202
C 4.776823 0.015472 1.704101
C 4.852444 0.023962 3.233065
H -0.645380 -0.015714 -2.835292
H -0.549221 2.537528 -1.518489
H -0.571001 -2.554763 -1.530463
H -4.140979 2.335500 2.014409
H -4.164154 -2.338658 2.000158
H 0.934925 0.003510 0.524125
H -1.490658 4.652085 -0.563350
H -1.532803 -4.665635 -0.587632
H 1.553595 -0.013362 -3.785305
H -3.285011 4.564352 1.194847
H -3.328339 -4.570838 1.168962
H 4.022557 -0.007380 -3.411259
H 4.981093 0.004116 -1.083126
H 2.727159 0.012767 1.916942
H 4.374868 0.928402 3.653919
H 5.910711 0.013242 3.530288
H 4.352411 -0.862064 3.666716


