%chk=000076848.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076848

0 1
 O   -1.826000       2.861100     -1.9999999E-04
 O    2.326100      -1.644400     -3.9999999E-04
 N   -1.059400      0.6157000      9.9999997E-05
 N   0.1584000     -3.2400001E-02 -1.9999999E-04
 N    2.406700      0.6693000     -8.9999998E-04
 C   0.5332000       2.278200     -6.9999998E-04
 C    1.066000      0.8878000     -5.0000002E-04
 C  -0.9463000       2.016600      9.9999997E-05
 C   -2.228100     -0.1288000      3.9999999E-04
 C   -3.473400      0.5103000      7.9999998E-04
 C   -2.175600      -1.527600     -3.0000001E-04
 C    2.976100     -0.5997000     -7.9999998E-04
 C   -4.649900     -0.2388000      6.9999998E-04
 C   -3.352200      -2.276700     -5.0000002E-04
 C   -4.589400      -1.632300       0.000000    
 C    4.479200     -0.6104000      3.0000001E-04
 C    5.271700      0.6616000      1.4000000E-03
 C    5.082900      -1.809400      3.9999999E-04
 H   0.8400000       2.812000      0.9010000    
 H   0.8392000       2.811500     -0.9029000    
 H    3.002600       1.491100     -1.0000000E-03
 H   -3.602600       1.583900      1.4000000E-03
 H   -1.232200      -2.067400     -7.9999998E-04
 H   -5.613900      0.2616000      1.1000000E-03
 H   -3.305700      -3.361900     -1.0000000E-03
 H   -5.505500      -2.215600     -9.9999997E-05
 H    5.047700       1.256000      0.8932000    
 H    5.049300       1.256600     -0.8904000    
 H    6.350700      0.4713000      2.3000001E-03
 H    6.165800      -1.887400      1.2000001E-03
 H    4.534500      -2.745300     -3.0000001E-04


%chk=000076848-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076848

0 1
O -1.853438 2.952341 -0.000045
O 2.415033 -1.773630 -0.000001
N -1.126452 0.666733 -0.000088
N 0.116108 -0.059065 -0.000015
N 2.444929 0.572802 0.000311
C 0.569738 2.276436 0.000128
C 1.077272 0.851910 0.000115
C -0.957940 2.066846 -0.000202
C -2.333675 -0.102422 -0.000085
C -3.600388 0.539787 -0.000084
C -2.243411 -1.519411 -0.000082
C 3.073774 -0.699265 0.000313
C -4.769575 -0.250303 -0.000087
C -3.425433 -2.286708 -0.000090
C -4.694425 -1.661491 -0.000087
C 4.585990 -0.637775 0.000327
C 5.308054 0.700333 0.000623
C 5.248181 -1.826376 0.000055
H 0.869894 2.853311 0.893285
H 0.870203 2.853415 -0.892858
H 3.055266 1.392144 0.000421
H -3.657824 1.630092 -0.000103
H -1.257086 -1.988800 -0.000073
H -5.745559 0.248125 -0.000086
H -3.351125 -3.379937 -0.000094
H -5.608745 -2.264447 -0.000087
H 5.067907 1.303306 0.899247
H 5.068042 1.303634 -0.897820
H 6.399665 0.547046 0.000667
H 6.341988 -1.877471 0.000052
H 4.682932 -2.764660 -0.000157


