%chk=000047106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047106

0 1
 O  -0.7393000      9.8800004E-02  0.1651000    
 O   0.1644000       2.218600      0.2263000    
 N   -4.428300      7.0000002E-03  0.3537000    
 N    1.528000      0.3712000      6.9600001E-02
 C   -4.749400      0.8651000     -0.7955000    
 C   -5.382900      -1.104300      0.4699000    
 C   -6.159200       1.445300     -0.6740000    
 C   -6.813500     -0.5883000      0.6331000    
 C   -7.200200      0.3438000     -0.5094000    
 C   -3.061300     -0.5018000      0.2460000    
 C   -2.060400      0.6425000      0.2546000    
 C    1.800500      -1.006100     -1.1200000E-02
 C    2.750900       1.062300      4.4500001E-02
 C    3.189400      -1.165800     -8.6400002E-02
 C    3.781000      0.1249000     -5.1800001E-02
 C   0.2658000       1.003900      0.1618000    
 C   0.9638000      -2.144000     -2.6000001E-02
 C    3.048900       2.441000      9.7700000E-02
 C    3.741800      -2.464500     -0.1770000    
 C    5.123600      0.5659000     -9.5200002E-02
 C    1.533200      -3.419100     -0.1159000    
 C    4.384100       2.854800      5.3199999E-02
 C    2.907000      -3.580600     -0.1909000    
 C    5.412000       1.929500     -4.2199999E-02
 H   -4.656400      0.3114000      -1.739000    
 H   -4.091100       1.735500     -0.8551000    
 H   -5.138800      -1.713800       1.348500    
 H   -5.326700      -1.761000     -0.4083000    
 H   -6.392500       2.042700      -1.562800    
 H   -6.205700       2.123000      0.1881000    
 H   -6.904800     -5.4200001E-02   1.587500    
 H   -7.509800      -1.433600      0.6722000    
 H   -8.185900      0.7826000     -0.3202000    
 H   -7.275800     -0.2305000      -1.440900    
 H   -2.922500      -1.112900     -0.6561000    
 H   -2.833600      -1.160400       1.094300    
 H   -2.149600       1.225000       1.179700    
 H   -2.177600       1.305000     -0.6067000    
 H  -0.1161000      -2.076100      2.9899999E-02
 H    2.275700       3.197100      0.1723000    
 H    4.818600      -2.601300     -0.2362000    
 H    5.937000     -0.1512000     -0.1699000    
 H   0.8866000      -4.292800     -0.1270000    
 H    4.616200       3.915900      9.4099998E-02
 H    3.335600      -4.576000     -0.2604000    
 H    6.444500       2.265000     -7.5900003E-02


%chk=000047106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047106

0 1
O -0.718495 0.063055 0.195395
O 0.168734 2.215574 0.377515
N -4.461071 0.028962 0.161491
N 1.575061 0.346432 0.111740
C -4.908764 0.668037 -1.104081
C -5.439379 -0.985707 0.632055
C -6.273713 1.361247 -0.919938
C -6.821589 -0.345440 0.872874
C -7.331194 0.357450 -0.406446
C -3.074615 -0.484932 0.088670
C -2.081728 0.655775 0.347459
C 1.866650 -1.054310 -0.045367
C 2.820720 1.066540 0.124800
C 3.288952 -1.203871 -0.128546
C 3.885481 0.124541 -0.022198
C 0.329939 0.978447 0.240121
C 1.008852 -2.170451 -0.119658
C 3.063161 2.448928 0.253657
C 3.858707 -2.486067 -0.286404
C 5.224549 0.572591 -0.041350
C 1.599238 -3.445679 -0.277300
C 4.411090 2.876115 0.231641
C 3.006709 -3.608166 -0.360255
C 5.481524 1.954520 0.086174
H -4.989335 -0.094325 -1.924640
H -4.151899 1.408346 -1.421454
H -5.058006 -1.427481 1.571406
H -5.549160 -1.819945 -0.111307
H -6.592439 1.805714 -1.882324
H -6.157868 2.185516 -0.190299
H -6.730671 0.394891 1.691045
H -7.535013 -1.125366 1.201962
H -8.290564 0.871950 -0.209642
H -7.527237 -0.403151 -1.190887
H -2.841336 -0.964661 -0.893257
H -2.937705 -1.256046 0.868890
H -2.189065 1.057002 1.369253
H -2.187884 1.486943 -0.370617
H -0.072338 -2.052631 -0.058136
H 2.239966 3.155297 0.366196
H 4.945568 -2.606686 -0.350348
H 6.049482 -0.139410 -0.153311
H 0.949828 -4.326254 -0.336903
H 4.629509 3.945235 0.329775
H 3.431049 -4.610480 -0.482492
H 6.513496 2.321452 0.073139


