%chk=000066342.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066342

0 1
 O   -2.391000       1.553800      0.5405000    
 O    2.382700       1.563300      0.5397000    
 N   -1.764100      -2.524100      -1.945000    
 N    1.771500      -2.517400      -1.945000    
 C   -1.192700       2.121700      0.1411000    
 C    1.202700       2.116600      0.1477000    
 C  -4.1000000E-03   1.544500      0.5500000    
 C   -2.510300      0.2009000      0.4523000    
 C    2.509700      0.1872000      0.4500000    
 C   -1.215600       3.251600     -0.6564000    
 C    1.200300       3.256200     -0.6569000    
 C  -8.8999998E-03   3.823700      -1.058700    
 C   -2.078400     -0.4645000     -0.6952000    
 C    2.077700     -0.4564000     -0.6955000    
 C   -2.200900      -1.851100     -0.7850000    
 C    2.205800      -1.842500     -0.7853000    
 C   -3.064800     -0.5205000       1.509700    
 C    3.065400     -0.5081000       1.508800    
 C   -2.755200      -2.572300      0.2725000    
 C    2.763900      -2.561300      0.2719000    
 C   -3.187100      -1.907000       1.419700    
 C    3.193700      -1.894100       1.418900    
 H  -6.0000001E-03  0.6860000       1.216300    
 H   -2.156100       3.694000     -0.9704000    
 H    2.137200       3.706000     -0.9740000    
 H  -1.0800000E-02   4.710800      -1.685300    
 H   -1.664500      8.5299999E-02  -1.537600    
 H    1.662200      9.4400004E-02  -1.535400    
 H   -3.402600     -7.7999998E-03   2.406200    
 H    3.399800      9.9999998E-03   2.402500    
 H   -2.855700      -3.653100      0.2147000    
 H    2.868900      -3.641600      0.2141000    
 H   -3.618400      -2.468500       2.243200    
 H    3.627800      -2.453700       2.242300    
 H   -1.351600      -2.003300      -2.707500    
 H   -1.846700      -3.530100      -2.007800    
 H    1.857900      -3.523100      -2.007700    
 H    1.355900      -1.998500      -2.707100    


%chk=000066342-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066342

0 1
O -2.457272 1.535695 0.609307
O 2.468291 1.579310 0.167105
N -1.630194 -2.486220 -2.111500
N 1.336602 -3.077442 -1.024284
C -1.233653 2.160906 0.237799
C 1.185806 2.149532 0.028494
C -0.000805 1.501515 0.435591
C -2.619458 0.148670 0.352590
C 2.677783 0.169155 0.223568
C -1.302237 3.472934 -0.272686
C 1.150596 3.466431 -0.490380
C -0.092539 4.121745 -0.616687
C -2.060882 -0.464593 -0.790519
C 1.861418 -0.756149 -0.459509
C -2.259992 -1.851360 -1.008332
C 2.163386 -2.148244 -0.392555
C -3.417897 -0.576498 1.262897
C 3.824802 -0.234930 0.940307
C -3.050615 -2.598895 -0.093656
C 3.324889 -2.566065 0.325220
C -3.627143 -1.952216 1.020436
C 4.138167 -1.612353 0.968708
H 0.026905 0.508101 0.888099
H -2.275114 3.955177 -0.399028
H 2.088104 3.947809 -0.781827
H -0.123275 5.143148 -1.010758
H -1.470827 0.128182 -1.497767
H 1.001661 -0.419739 -1.045517
H -3.843195 -0.068130 2.131776
H 4.438143 0.514305 1.446617
H -3.209370 -3.671985 -0.252583
H 3.574994 -3.632360 0.380373
H -4.240496 -2.532573 1.718379
H 5.026382 -1.947791 1.516131
H -1.364900 -1.896285 -2.902372
H -1.975270 -3.411424 -2.371814
H 1.559721 -4.066732 -0.951267
H 0.405086 -2.823632 -1.374056


