%chk=000088796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088796

0 1
 O   1.7000000E-03  -1.545700      -3.782700    
 O   -4.536900       2.305900       1.633200    
 O    4.533500       2.308100       1.634400    
 N    0.000000     -0.9153000      -1.514300    
 N   -2.516200       1.108700       1.459100    
 N    2.513400       1.110100       1.459200    
 C   -1.190600       1.178000      -1.255300    
 C    1.207300       1.168900      -1.257200    
 C   -2.515900      0.4507000      -1.346400    
 C    2.515000      0.4522000      -1.346400    
 C  -3.9999999E-04  0.4763000      -1.341600    
 C   -2.715700     -0.5765000     -0.2804000    
 C    2.717400     -0.5892000     -0.2655000    
 C   -1.209200       2.552700      -1.087100    
 C    1.206900       2.553500      -1.087600    
 C  -1.4000000E-03   3.245300      -1.002600    
 C   -2.710000     -0.2221000       1.068600    
 C    2.707800     -0.2205000       1.068700    
 C   -2.910000      -1.907200     -0.6511000    
 C    2.909800      -1.905500     -0.6509000    
 C   -2.898500      -1.198200       2.047000    
 C    2.896200      -1.196600       2.047200    
 C   -3.098600      -2.883300      0.3274000    
 C    3.098200      -2.881500      0.3277000    
 C   -3.092800      -2.528900       1.676400    
 C    3.091400      -2.527200       1.676700    
 C   8.9999998E-04  -1.229200      -2.649400    
 C   -3.527700       1.707300       1.546100    
 C    3.524500       1.709100       1.546700    
 H   -2.591800      6.0999999E-03  -2.347900    
 H   -3.354000       1.159400      -1.306600    
 H    3.358000       1.155000      -1.301400    
 H    2.598200      1.6000000E-03  -2.344500    
 H   -2.141700       3.105900      -1.024300    
 H    2.137700       3.110900      -1.024600    
 H  -1.7000000E-03   4.323600     -0.8724000    
 H   -2.922300      -2.201600      -1.697200    
 H    2.922300      -2.196200      -1.697200    
 H   -2.893400     -0.9351000       3.101800    
 H    2.890200     -0.9336000       3.101900    
 H   -3.250500      -3.919300      3.8899999E-02
 H    3.251000      -3.917300      3.9299998E-02
 H   -3.239000      -3.289100       2.438100    
 H    3.237400      -3.287300       2.438500    


%chk=000088796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088796

0 1
O -0.004165 -3.121413 -2.529968
O -3.206929 3.381599 2.075313
O 3.218248 3.386747 2.074040
N 0.000028 -0.796489 -1.825342
N -3.170186 1.058028 1.367567
N 3.176501 1.062303 1.369252
C -1.247560 1.208518 -1.248047
C 1.246700 1.209151 -1.246254
C -2.580665 0.481086 -1.446355
C 2.580770 0.483342 -1.442670
C -0.000052 0.532029 -1.428579
C -2.911574 -0.598413 -0.411796
C 2.911021 -0.595882 -0.407493
C -1.220931 2.581848 -0.915318
C 1.218637 2.582504 -0.914122
C -0.001320 3.272927 -0.750792
C -3.183183 -0.264381 0.952786
C 3.185811 -0.260507 0.956282
C -2.986803 -1.961101 -0.784220
C 2.982589 -1.959354 -0.778101
C -3.492686 -1.280595 1.896897
C 3.495171 -1.276136 1.901291
C -3.297729 -2.975514 0.148622
C 3.293204 -2.973128 0.155652
C -3.545166 -2.630410 1.497732
C 3.544010 -2.626511 1.503716
C 0.000095 -1.950529 -2.170026
C -3.191491 2.210198 1.720670
C 3.200239 2.214899 1.720870
H -2.596013 0.004603 -2.446193
H -3.381729 1.245714 -1.447740
H 3.381620 1.248123 -1.441865
H 2.599078 0.006758 -2.442504
H -2.169278 3.118726 -0.792777
H 2.166690 3.119839 -0.790977
H -0.001551 4.336011 -0.490703
H -2.803031 -2.232821 -1.831065
H 2.795766 -2.232549 -1.823935
H -3.695908 -0.993499 2.934472
H 3.701148 -0.988321 2.938133
H -3.340108 -4.020749 -0.174755
H 3.332552 -4.018981 -0.166137
H -3.783740 -3.404590 2.235069
H 3.782421 -3.400182 2.241670


