%chk=000087733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087733

0 1
 O   -2.355400      -2.614200     -1.7000000E-03
 O   -4.478000       1.524500      1.6000000E-03
 N   0.1642000       1.486900     -7.9999998E-04
 N  -2.1800000E-02  -1.336400     -1.9999999E-04
 N   -3.504800     -0.5616000      9.9999997E-05
 N   -2.219500       1.484400      6.0000003E-04
 C    1.344200      0.7117000     -3.0000001E-04
 C    1.225500     -0.6928000      9.9999997E-05
 C   -1.078900      0.8651000     -1.9999999E-04
 C   -1.108500     -0.6338000     -6.0000003E-04
 C    2.639100       1.263200     -3.0000001E-04
 C    3.775700      0.4506000      3.9999999E-04
 C    3.643200     -0.9316000      1.1000000E-03
 C    2.373300      -1.500100      8.9999998E-04
 C   0.2953000       2.943100     -1.0000000E-03
 C   -2.393700      -1.393200     -6.0000003E-04
 C    5.125200       1.091800     -1.4000000E-03
 C    4.841100      -1.822700      1.3000000E-03
 C   -3.443700      0.8512000      1.4000000E-03
 C   -4.822500      -1.186100     -5.0000002E-04
 H    2.777900       2.341600     -1.1000000E-03
 H    2.259700      -2.582600      1.2000001E-03
 H  -0.6788000       3.443700     -1.5000000E-03
 H   0.8249000       3.287700     -0.8962000    
 H   0.8241000       3.288000      0.8947000    
 H    5.057100       2.185300      6.9999998E-04
 H    5.690500      0.8031000      0.8906000    
 H    5.686500      0.8058000     -0.8968000    
 H    4.559700      -2.881600      1.4000000E-03
 H    5.450000      -1.651300     -0.8924000    
 H    5.449600      -1.651000      0.8951000    
 H   -5.370000     -0.8525000      0.8867000    
 H   -4.762900      -2.277300     -1.1000000E-03
 H   -5.369500     -0.8516000     -0.8878000    


%chk=000087733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087733

0 1
O -2.547699 -2.636470 -0.000092
O -4.524015 1.606621 0.000507
N 0.162027 1.414973 -0.000628
N 0.018511 -1.433380 -0.000110
N -3.532841 -0.505440 -0.000306
N -2.188553 1.537315 -0.000530
C 1.348235 0.662862 -0.000374
C 1.246298 -0.774156 -0.000063
C -1.094819 0.781728 -0.000516
C -1.083657 -0.688068 -0.000423
C 2.633805 1.260027 -0.000355
C 3.803030 0.470636 -0.000064
C 3.708297 -0.967327 0.000236
C 2.434241 -1.554694 0.000235
C 0.209417 2.894008 -0.000984
C -2.419624 -1.381675 -0.000191
C 5.161100 1.143494 -0.000299
C 4.957425 -1.827793 0.000477
C -3.454174 0.938690 -0.000723
C -4.893177 -1.091411 0.000077
H 2.736401 2.348503 -0.000528
H 2.308442 -2.641924 0.000434
H -0.831945 3.248671 -0.001352
H 0.731312 3.258883 -0.902820
H 0.730735 3.259363 0.900995
H 5.071416 2.242336 0.001416
H 5.756406 0.848099 0.884985
H 5.754600 0.850810 -0.887742
H 4.700495 -2.899720 0.000191
H 5.588495 -1.630386 -0.887312
H 5.587915 -1.630757 0.888765
H -5.446390 -0.754698 0.892097
H -4.786515 -2.185889 0.000805
H -5.446394 -0.755933 -0.892410


