%chk=000048218.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048218

0 1
 O   -6.277100      -2.067700      1.6899999E-02
 N   -1.009600       1.157900      0.1284000    
 C   -1.784600     -4.3200001E-02 -0.1602000    
 C   0.4050000      0.9457000     -0.1830000    
 C   -3.248300      0.1644000      0.2247000    
 C   -1.529500       2.300100     -0.6254000    
 C    1.001200     -0.2364000      0.5774000    
 C   -4.077300      -1.086600     -6.1400000E-02
 C    2.466500     -0.4464000      0.2837000    
 C  -0.7730000       3.572900     -0.2849000    
 C   -5.546900     -0.8769000      0.2793000    
 C    2.838000      -1.274800     -0.7639000    
 C    3.415400      0.1929000       1.066300    
 C    4.192300      -1.468800      -1.035600    
 C    4.769700     -1.1000000E-03  0.7945000    
 C    5.158100     -0.8320000     -0.2566000    
 H   -1.448800     -0.8926000      0.4408000    
 H   -1.706300     -0.3286000      -1.217400    
 H   0.9969000       1.822300      0.1025000    
 H   0.5497000      0.8016000      -1.262700    
 H   -3.329400      0.4290000       1.286300    
 H   -3.716500      0.9646000     -0.3550000    
 H   -1.503200       2.127200      -1.708600    
 H   -2.562200       2.525300     -0.3492000    
 H   0.8628000     -0.1009000       1.658500    
 H   0.5059000      -1.181200      0.3294000    
 H   -3.986700      -1.369000      -1.117800    
 H   -3.690700      -1.938900      0.5112000    
 H  -0.6669000       3.706500      0.7972000    
 H   0.2182000       3.607500     -0.7474000    
 H   -1.323100       4.440500     -0.6672000    
 H   -5.983100     -6.5800004E-02 -0.3127000    
 H   -5.670100     -0.6327000       1.339000    
 H    2.093900      -1.773000      -1.378600    
 H    3.122500      0.8434000       1.885500    
 H    4.494800      -2.115000      -1.854400    
 H    5.521900      0.4952000       1.400700    
 H    6.212600     -0.9828000     -0.4684000    
 H   -6.177400      -2.270000     -0.9290000    


%chk=000048218-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048218

0 1
O -6.398314 -2.181749 0.118354
N -0.990412 1.155501 -0.272548
C -1.910082 0.057577 -0.667891
C 0.439092 0.816074 -0.477799
C -3.221933 0.047065 0.146527
C -1.370997 2.470545 -0.855169
C 1.012810 -0.060731 0.670936
C -4.185338 -1.075851 -0.302408
C 2.480335 -0.391086 0.447610
C -0.883780 3.663167 -0.010218
C -5.491358 -1.089770 0.511950
C 2.864937 -1.501820 -0.348336
C 3.500463 0.434888 0.987537
C 4.227617 -1.780870 -0.598060
C 4.864985 0.161019 0.741318
C 5.233713 -0.948607 -0.054381
H -1.391107 -0.905783 -0.501958
H -2.151256 0.097968 -1.761866
H 1.023152 1.753303 -0.517748
H 0.609422 0.297213 -1.454163
H -2.966452 -0.072300 1.216971
H -3.729817 1.028563 0.053756
H -1.000113 2.574395 -1.906757
H -2.474670 2.507931 -0.910320
H 0.868613 0.492196 1.616844
H 0.418728 -0.991565 0.746192
H -4.426043 -0.947704 -1.380309
H -3.695436 -2.064297 -0.200339
H -1.303164 3.601640 1.009039
H 0.217832 3.682024 0.076603
H -1.199467 4.618958 -0.469104
H -6.002203 -0.104753 0.431997
H -5.282808 -1.283490 1.577891
H 2.090247 -2.157152 -0.767032
H 3.220795 1.293617 1.611102
H 4.505368 -2.646163 -1.211040
H 5.638633 0.807195 1.172004
H 6.291177 -1.164834 -0.244050
H -6.618467 -2.079715 -0.842236


