%chk=000102807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102807

0 1
 O    2.263200       1.813600       1.404500    
 O    1.758800       2.981000     -0.4750000    
 O    3.231400      -1.926600      -1.148100    
 N    2.274000     -0.4475000      0.3742000    
 N   -3.022900     -6.9300003E-02  0.5169000    
 N   -5.238600     -0.3335000       1.143600    
 N   -4.754900     -0.5665000      -1.071500    
 C   0.4098000      0.2709000      -1.080700    
 C    1.826000      0.5464000     -0.5680000    
 C  -0.6641000      0.2575000      1.3700000E-02
 C   -2.037500     -6.4300001E-02 -0.5656000    
 C    1.948600       1.909600      8.6099997E-02
 C    2.941500      -1.604300      1.1000000E-03
 C    3.317600      -2.456000       1.183800    
 C   -4.252900     -0.3110000      0.1851000    
 H   0.1450000       1.031500      -1.826200    
 H   0.4012000     -0.6966000      -1.598900    
 H    2.523800      0.5402000      -1.414200    
 H  -0.7023000       1.230200      0.5188000    
 H  -0.4145000     -0.4858000      0.7804000    
 H   -2.004000      -1.046500      -1.052600    
 H   -2.298200      0.6928000      -1.315300    
 H    2.073100     -0.2987000       1.359400    
 H    3.682800      -3.426900      0.8378000    
 H    4.105000      -1.958600       1.756500    
 H    2.446300      -2.617400       1.825000    
 H    2.324700       2.695000       1.830600    
 H   -5.023600     -0.1627000       2.119900    
 H   -6.206400     -0.5203000      0.9048000    
 H   -5.743700     -0.7434000      -1.213000    
 H   -4.164900     -0.5895000      -1.895500    


%chk=000102807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102807

0 1
O 2.063126 1.993657 1.524168
O 1.645921 3.051451 -0.501401
O 3.009815 -1.865727 -1.179786
N 2.344330 -0.404691 0.494549
N -3.030364 -0.274766 0.466210
N -5.284145 -0.216509 1.131948
N -4.831566 -0.525460 -1.151172
C 0.458038 0.267538 -1.055346
C 1.869031 0.598147 -0.467512
C -0.666176 0.224477 -0.002719
C -2.012647 -0.226625 -0.602584
C 1.854892 1.997720 0.132125
C 2.900690 -1.593992 0.057335
C 3.371756 -2.547001 1.151218
C -4.299550 -0.345872 0.137576
H 0.235163 1.024713 -1.831844
H 0.555461 -0.710693 -1.562383
H 2.574040 0.606908 -1.321933
H -0.812483 1.218680 0.462738
H -0.405788 -0.475443 0.813610
H -1.868315 -1.231244 -1.066574
H -2.292585 0.470677 -1.431738
H 2.290810 -0.177351 1.488570
H 2.826686 -3.502186 1.057422
H 4.442693 -2.766299 1.000119
H 3.226246 -2.152252 2.171521
H 2.008423 2.924727 1.870248
H -4.918874 -0.031678 2.065115
H -6.136888 -0.770604 1.061965
H -5.771576 -0.201532 -1.368443
H -4.201861 -0.715468 -1.925401


