%chk=000080653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080653

0 1
 O    1.791900      -1.523500      -1.086300    
 N   -1.069700      7.8800000E-02  0.1441000    
 C    1.410400      0.5149000      0.2076000    
 C   4.3499999E-02  0.8141000     -0.4487000    
 C    2.541200       1.340000     -0.4240000    
 C    1.373700      0.7673000       1.722000    
 C  -0.8801000      -1.362700     -2.2800000E-02
 C   -2.338300      0.4978000     -0.4528000    
 C    1.680000     -0.9747000      5.5999998E-03
 C   -1.998400      -2.144500      0.6452000    
 C   -2.554300       1.992700     -0.2899000    
 H   9.7599998E-02  0.6236000      -1.530200    
 H  -9.5299996E-02   1.893900     -0.3287000    
 H    2.388100       2.411900     -0.2592000    
 H    2.597000       1.168800      -1.505000    
 H    3.514600       1.064600     -2.4000001E-03
 H    1.105400       1.807400       1.938600    
 H    2.353100      0.5755000       2.176600    
 H   0.6552000      0.1208000       2.238100    
 H  -0.7692000      -1.679500      -1.065400    
 H  -9.2699997E-02  -1.747300      0.6089000    
 H   -2.400200      0.2297000      -1.515000    
 H   -3.180000      1.9800000E-02  5.8899999E-02
 H    1.920100      -1.548900      0.9213000    
 H   -2.199500      -1.786200       1.661200    
 H   -2.928700      -2.109600      6.9399998E-02
 H   -1.723700      -3.203700      0.7211000    
 H   -2.342400       2.328300      0.7312000    
 H   -1.959300       2.582700     -0.9940000    
 H   -3.603300       2.233700     -0.4980000    


%chk=000080653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080653

0 1
O 2.388947 -1.467011 -1.071708
N -1.052663 -0.002508 -0.024779
C 1.475798 0.457152 0.180736
C 0.151148 0.571655 -0.662412
C 2.504670 1.446508 -0.448848
C 1.237490 0.775126 1.670593
C -1.039020 -1.487893 -0.036565
C -2.313465 0.610308 -0.527573
C 2.072993 -0.951503 0.029942
C -2.175165 -2.142312 0.771249
C -2.526149 2.056020 -0.036140
H 0.358442 0.112212 -1.661866
H -0.031466 1.647997 -0.826493
H 2.138792 2.484855 -0.348502
H 2.655324 1.219081 -1.518933
H 3.485622 1.379355 0.056057
H 0.855124 1.804467 1.790894
H 2.178274 0.688998 2.247443
H 0.482539 0.097606 2.105272
H -1.026681 -1.893640 -1.080661
H -0.078061 -1.805774 0.415787
H -2.365380 0.580566 -1.645713
H -3.153769 -0.000957 -0.157611
H 2.253023 -1.506046 0.989725
H -2.241338 -1.690104 1.777245
H -3.160245 -2.047398 0.281268
H -1.972499 -3.222477 0.887961
H -2.488229 2.090318 1.066728
H -1.763871 2.753402 -0.427540
H -3.513485 2.427698 -0.368154


