%chk=000164917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164917

0 1
 O  -2.7700000E-02  0.5584000      -2.657200    
 N    1.628900       1.440100      -1.267800    
 N    1.621300       1.399000       4.440900    
 C  -0.1320000      0.2144000     -0.1994000    
 C   0.6147000       1.190000      0.7933000    
 C    1.962300       1.448700      0.1313000    
 C   0.4467000      0.7519000      -1.544800    
 C   0.7803000      0.7555000       2.245000    
 C   -1.671700      0.3641000     -0.2323000    
 C   0.2755000      -1.262500      3.5599999E-02
 C    2.532000       1.983400      -2.259700    
 C    1.459300       1.844600       3.062200    
 C   -2.414300     -0.3254000      -1.187200    
 C  -0.5536000      -2.107100      0.7751000    
 C   -2.307200       1.187900      0.6929000    
 C    1.472400      -1.749500     -0.4914000    
 C    3.590500      0.9755000      -2.657700    
 C   -3.802300     -0.1901000      -1.217200    
 C  -0.1865000      -3.436000      0.9871000    
 C   -3.695200       1.323200      0.6631000    
 C    1.839400      -3.078400     -0.2797000    
 C   -4.442700      0.6341000     -0.2920000    
 C    1.009900      -3.921600      0.4597000    
 H   0.1081000       2.166400      0.7773000    
 H    2.367900       2.429700      0.3987000    
 H    2.712000      0.6789000      0.3358000    
 H    1.381900     -0.1604000       2.303400    
 H  -0.1969000      0.5185000       2.681400    
 H    1.947800       2.253100      -3.146300    
 H    2.987100       2.896900      -1.863500    
 H   0.8648000       2.764600       3.045400    
 H    2.452700       2.078400       2.668700    
 H   -1.941500     -0.9845000      -1.909700    
 H   -1.476700      -1.761600       1.230200    
 H   -1.785200       1.733900       1.468500    
 H    2.147700      -1.140400      -1.079000    
 H    4.194600      0.6737000      -1.795900    
 H    3.137100      7.3100001E-02  -3.080800    
 H    4.260200       1.403800      -3.409800    
 H   0.7077000       1.207300       4.850000    
 H    2.028800       2.152000       4.993900    
 H   -4.384800     -0.7294000      -1.958400    
 H  -0.8285000      -4.090900       1.568900    
 H   -4.195200       1.961300       1.385900    
 H    2.770200      -3.457600     -0.6914000    
 H   -5.523600      0.7380000     -0.3140000    
 H    1.296400      -4.956000      0.6259000    


%chk=000164917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164917

0 1
O 0.005889 0.444757 -2.766959
N 1.632266 1.407482 -1.374668
N 1.530109 1.267767 4.518003
C -0.128300 0.244866 -0.233668
C 0.637478 1.199615 0.766916
C 1.983608 1.497638 0.051548
C 0.465880 0.696720 -1.617938
C 0.813214 0.702239 2.214344
C -1.657893 0.425408 -0.227106
C 0.253140 -1.241007 0.012527
C 2.482493 1.932541 -2.451784
C 1.412057 1.782563 3.141544
C -2.431511 -0.248705 -1.211318
C -0.533237 -2.043630 0.879808
C -2.338882 1.214976 0.733659
C 1.419815 -1.816262 -0.555925
C 3.781696 1.122752 -2.657886
C -3.835710 -0.123687 -1.239640
C -0.164597 -3.374105 1.173767
C -3.748365 1.336962 0.710784
C 1.789296 -3.148692 -0.266424
C -4.504156 0.669331 -0.277119
C 1.001284 -3.934630 0.603649
H 0.076814 2.156371 0.779325
H 2.371592 2.505396 0.291016
H 2.760672 0.754842 0.329068
H 1.461867 -0.191688 2.246508
H -0.168947 0.386693 2.621785
H 1.870562 1.906932 -3.370872
H 2.725270 2.990480 -2.228429
H 0.792019 2.712000 3.053255
H 2.429522 2.046779 2.792951
H -1.919583 -0.853511 -1.965129
H -1.448939 -1.629461 1.315186
H -1.783875 1.744254 1.514870
H 2.037938 -1.231455 -1.246614
H 4.404473 1.107665 -1.744723
H 3.550480 0.081002 -2.941958
H 4.382154 1.572881 -3.469123
H 0.643333 0.949576 4.921545
H 2.053140 1.869746 5.160325
H -4.409059 -0.644649 -2.014820
H -0.790011 -3.973653 1.845115
H -4.251380 1.952460 1.465669
H 2.689148 -3.573515 -0.725985
H -5.595860 0.763880 -0.297433
H 1.285694 -4.968926 0.827354


