%chk=000173638.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173638

0 1
 O    4.268400      0.4828000     -0.5137000    
 N   -1.190500       1.322800      0.1511000    
 N    2.649500      -1.635200      0.3887000    
 C   0.2054000       1.101900     -1.8500000E-02
 C    2.108500     -0.3635000      9.9699996E-02
 C   0.7403000     -0.1476000      0.2648000    
 C   -2.215400      0.3641000      1.0700000E-02
 C    1.012900       2.139600     -0.4638000    
 C    2.928900      0.6724000     -0.3472000    
 C    2.381100       1.923900     -0.6291000    
 C   -1.599000       2.593100      0.7716000    
 C   -2.058100     -0.7004000     -0.8770000    
 C   -3.386600      0.4806000      0.7593000    
 C    2.189700      -2.806900     -0.3283000    
 C    3.680600      -1.780700       1.395900    
 C   -3.072100      -1.648100      -1.016400    
 C   -4.400500     -0.4672000      0.6200000    
 C   -4.243100      -1.531600     -0.2678000    
 H   0.1266000     -0.9522000      0.6608000    
 H   0.6184000       3.113000     -0.7375000    
 H    3.007100       2.736900     -0.9874000    
 H  -0.8713000       3.401800      0.6614000    
 H   -1.735500       2.465800       1.852500    
 H   -2.523900       2.978400      0.3246000    
 H   -1.179500     -0.8030000      -1.507600    
 H   -3.559300       1.273200       1.480000    
 H    2.089900      -2.597600      -1.399200    
 H    2.894700      -3.638700     -0.2228000    
 H    1.219400      -3.138600      5.5399999E-02
 H    4.674000      -1.749200      0.9373000    
 H    3.619200     -0.9929000       2.155100    
 H    3.580100      -2.739300       1.917000    
 H   -2.953800      -2.471900      -1.714300    
 H   -5.311200     -0.3797000       1.205500    
 H   -5.033000      -2.268900     -0.3771000    
 H    4.670300       1.311300     -0.8266000    


%chk=000173638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173638

0 1
O 4.285127 0.509273 -0.816130
N -1.224672 1.290014 0.376714
N 2.760035 -1.638998 0.320188
C 0.168510 1.100594 0.063188
C 2.183407 -0.370862 0.087921
C 0.806047 -0.130809 0.359206
C -2.219598 0.362957 -0.010045
C 0.927784 2.160455 -0.483668
C 2.925077 0.722702 -0.479584
C 2.304291 1.960932 -0.730513
C -1.589776 2.403646 1.269177
C -1.987705 -0.578950 -1.061361
C -3.509235 0.375027 0.604157
C 1.864945 -2.767959 0.609770
C 4.098898 -1.766884 0.932833
C -2.999084 -1.472019 -1.461888
C -4.513531 -0.525942 0.188511
C -4.272940 -1.461183 -0.841956
H 0.208448 -0.914742 0.830832
H 0.451032 3.111509 -0.739639
H 2.896374 2.774497 -1.172358
H -0.728205 3.080245 1.368691
H -1.859650 2.048769 2.286827
H -2.446237 2.976531 0.865032
H -1.020335 -0.589360 -1.572062
H -3.731500 1.080082 1.410165
H 1.024712 -2.790884 -0.105628
H 2.436028 -3.706506 0.498267
H 1.443914 -2.747729 1.642057
H 4.537745 -2.741066 0.649841
H 4.759543 -0.968690 0.570171
H 4.046911 -1.718768 2.044374
H -2.793348 -2.175874 -2.277247
H -5.492806 -0.494040 0.681026
H -5.055683 -2.157703 -1.159967
H 4.647676 1.310137 -1.269802


