%chk=000017866.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017866

0 1
 O   0.3749000      -2.776200      -1.431100    
 N  -3.2900002E-02 -0.7158000      0.3272000    
 N   0.4000000      -4.281600      0.3375000    
 N   0.9284000      -5.300200     -0.4296000    
 C    1.323500     -0.4398000      0.7892000    
 C  -0.9686000      0.2780000      0.8556000    
 C    1.919900      0.7274000      3.3000000E-03
 C   -2.225800      0.3308000     -1.1800000E-02
 C    3.345700       1.083200      0.4364000    
 C   -3.260100       1.347000      0.4824000    
 C  -0.4463000      -2.063300      0.7214000    
 C    3.936700       2.268200     -0.3306000    
 C   -4.531300       1.384200     -0.3687000    
 C    5.383100       2.533200      8.9599997E-02
 C   -5.496000       2.463700      0.1245000    
 C   0.1574000      -3.053300     -0.2528000    
 C    5.966600       3.729400     -0.6455000    
 C   -6.775300       2.485100     -0.6968000    
 H    1.347400     -0.2348000       1.867600    
 H    1.976400      -1.306200      0.6228000    
 H   -1.229900      5.9000000E-02   1.899700    
 H  -0.5471000       1.287800      0.8595000    
 H    1.928900      0.4761000      -1.065700    
 H    1.313500       1.633200      0.1022000    
 H   -1.944000      0.5871000      -1.041700    
 H   -2.716900     -0.6470000     -5.9099998E-02
 H    3.349000       1.311500       1.509500    
 H    3.988300      0.2048000      0.2974000    
 H   -3.528400       1.111500       1.519800    
 H   -2.801600       2.343800      0.4923000    
 H  -0.1562000      -2.290500       1.755000    
 H   -1.528300      -2.217700      0.6518000    
 H    3.327000       3.161500     -0.1490000    
 H    3.899200       2.064200      -1.407500    
 H   -5.021700      0.4038000     -0.3358000    
 H   -4.267100       1.578900      -1.415100    
 H    5.429300       2.718500       1.169100    
 H    5.998400       1.649400     -0.1148000    
 H   -5.748200       2.285100       1.176300    
 H   -5.015000       3.447100      6.8300001E-02
 H    5.392900       4.637600     -0.4346000    
 H    7.000900       3.900200     -0.3307000    
 H    5.963600       3.564300      -1.727700    
 H   -7.298100       1.525400     -0.6338000    
 H   -7.449700       3.264100     -0.3278000    
 H   -6.561500       2.691700      -1.750300    
 H   0.1953000      -4.473600       1.313000    
 H    1.788600      -5.599000      2.8200001E-02
 H   0.2847000      -6.087300     -0.3598000    


%chk=000017866-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017866

0 1
O 0.594630 -3.050889 -1.424344
N -0.117508 -0.764848 0.381784
N 0.673678 -4.299719 0.530515
N 1.358488 -5.404218 -0.044271
C 1.275610 -0.468152 0.803451
C -1.117482 0.211427 0.880289
C 1.914305 0.679290 -0.006522
C -2.367343 0.334500 -0.017581
C 3.346412 1.012201 0.469412
C -3.377128 1.369982 0.526855
C -0.520308 -2.156678 0.616458
C 4.007422 2.145317 -0.347445
C -4.634966 1.519896 -0.358505
C 5.431551 2.498724 0.138898
C -5.647467 2.550629 0.190757
C 0.301746 -3.171768 -0.201806
C 6.087186 3.627995 -0.685226
C -6.899601 2.700468 -0.700247
H 1.333732 -0.234417 1.898806
H 1.883319 -1.378856 0.642016
H -1.436500 -0.027183 1.929869
H -0.627049 1.201270 0.924381
H 1.920418 0.383338 -1.072496
H 1.287820 1.591463 0.064765
H -2.038202 0.615010 -1.036169
H -2.875201 -0.646924 -0.112224
H 3.323557 1.300587 1.541984
H 3.978487 0.101385 0.405717
H -3.686286 1.081644 1.554061
H -2.878176 2.357884 0.619423
H -0.481065 -2.444344 1.704558
H -1.573707 -2.276899 0.300748
H 3.369422 3.052845 -0.299597
H 4.047890 1.851215 -1.416808
H -5.135007 0.533507 -0.457389
H -4.330020 1.816293 -1.383648
H 5.387782 2.795653 1.206965
H 6.067098 1.590509 0.095198
H -5.953387 2.250634 1.214059
H -5.145468 3.534623 0.293114
H 5.484716 4.554852 -0.636251
H 7.102037 3.864398 -0.315476
H 6.173563 3.341624 -1.750485
H -7.436250 1.737407 -0.795047
H -7.607146 3.442052 -0.285608
H -6.623038 3.030257 -1.719551
H 0.466061 -4.379882 1.527348
H 2.269542 -5.101788 -0.418899
H 0.791435 -5.821814 -0.796534


