%chk=000036835.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036835

0 1
 O   0.2239000      -1.757600     -0.4141000    
 N    1.768200     -9.6000001E-02 -2.9700000E-02
 N  -0.5262000      0.3754000      0.1411000    
 C    2.203600       1.273400      0.3024000    
 C    2.921700     -0.9674000     -0.2928000    
 C    3.711100       1.134700      0.5383000    
 C    4.108900     -7.3000002E-03 -0.3892000    
 C    1.910700       2.252000     -0.8367000    
 C    3.117500      -1.993200      0.8245000    
 C   0.4527000     -0.5809000     -0.1263000    
 C   -1.933400      0.2167000      9.3900003E-02
 C   -2.762900       1.303400      0.3602000    
 C   -2.481200      -1.025200     -0.2192000    
 C   -4.148200       1.147500      0.3134000    
 C   -3.866500      -1.180900     -0.2662000    
 C   -4.699900     -9.4599999E-02  1.9999999E-04
 H    1.700300       1.608300       1.215700    
 H    2.765400      -1.496300      -1.239900    
 H    3.899200      0.8450000       1.579300    
 H    4.271600       2.053400      0.3414000    
 H    4.202600      0.3673000      -1.415700    
 H    5.064300     -0.4625000     -0.1121000    
 H    2.300100       3.246700     -0.5948000    
 H    2.373700       1.927400      -1.774900    
 H   0.8406000       2.358200      -1.032000    
 H    2.269700      -2.682600      0.8857000    
 H    4.018000      -2.590100      0.6461000    
 H    3.215200      -1.511800       1.803600    
 H  -0.2239000       1.303000      0.4174000    
 H   -2.345400       2.276700      0.6050000    
 H   -1.909700      -1.915700     -0.4352000    
 H   -4.797400       1.993200      0.5207000    
 H   -4.297900      -2.147800     -0.5092000    
 H   -5.778600     -0.2160000     -3.6100000E-02


%chk=000036835-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036835

0 1
O 0.272200 -1.770937 -0.537120
N 1.795029 -0.078607 -0.038050
N -0.520215 0.346249 0.152086
C 2.197775 1.330197 0.242206
C 2.957887 -0.996514 -0.255413
C 3.714888 1.185649 0.539920
C 4.149637 -0.007960 -0.348944
C 1.922932 2.283133 -0.949656
C 3.103061 -2.024623 0.888857
C 0.499210 -0.573571 -0.168405
C -1.926424 0.147793 0.093564
C -2.750109 1.247144 0.467157
C -2.534654 -1.071352 -0.312991
C -4.154318 1.133541 0.435827
C -3.942875 -1.166860 -0.339971
C -4.763840 -0.076925 0.030522
H 1.672462 1.706302 1.146284
H 2.799020 -1.545753 -1.201039
H 3.870673 0.943039 1.606695
H 4.265091 2.115363 0.315999
H 4.295665 0.323656 -1.393316
H 5.089957 -0.470433 -0.005304
H 2.158819 3.326012 -0.668203
H 2.550712 2.007472 -1.815419
H 0.869430 2.244551 -1.279860
H 2.175273 -2.611751 0.987751
H 3.931745 -2.722440 0.667078
H 3.315690 -1.525588 1.852263
H -0.232674 1.266822 0.486606
H -2.287633 2.192500 0.782731
H -1.899207 -1.912285 -0.595114
H -4.771108 1.991169 0.727697
H -4.401283 -2.111417 -0.655106
H -5.855017 -0.167175 0.005469


