%chk=000044435.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044435

0 1
 O  -0.3482000       1.569700       1.266300    
 N    3.725600     -9.9799998E-02 -0.1713000    
 N   0.6122000       1.834300     -0.8311000    
 C   -2.976100       1.370000      4.6300001E-02
 C    2.333400      0.1169000     -0.5430000    
 C   -1.776700       2.060300     -0.6306000    
 C    1.982000       1.593700     -0.4394000    
 C    4.081800      -1.513700     -0.3051000    
 C    3.971900      0.3576000       1.197700    
 C   -2.826700     -0.1412000      0.1246000    
 C  -0.4469000       1.801400      6.4499997E-02
 C   -4.273700       1.741400     -0.6811000    
 C    3.834200      -2.010800      -1.719200    
 C    5.435100      0.1991000       1.574700    
 C   -3.353000     -0.8092000       1.212200    
 C   -2.169500     -0.8016000     -0.8942000    
 C   -3.216200      -2.195500       1.284000    
 C   -2.032900      -2.188000     -0.8222000    
 C   -2.556200      -2.884800      0.2669000    
 H   -3.039800       1.759700       1.071900    
 H    2.144700     -0.1680000      -1.583800    
 H    1.653000     -0.4786000      8.0700003E-02
 H   -1.927900       3.147800     -0.5910000    
 H   -1.714800       1.811100      -1.695900    
 H    2.615600       2.195400      -1.100500    
 H    2.069100       1.988900      0.5749000    
 H    5.151300      -1.660500     -0.1233000    
 H    3.533900      -2.143500      0.4072000    
 H    3.338500     -0.1626000       1.927000    
 H    3.787400       1.429700       1.300900    
 H   0.4332000       2.030900      -1.811300    
 H   -4.410300       2.827900     -0.7005000    
 H   -4.270600       1.382000      -1.716300    
 H   -5.145000       1.304300     -0.1808000    
 H    2.771800      -2.172100      -1.927000    
 H    4.247200      -1.328200      -2.469900    
 H    4.326500      -2.980400      -1.856900    
 H    5.705800     -0.8426000       1.772500    
 H    6.100000      0.5998000      0.8018000    
 H    5.638700      0.7530000       2.498400    
 H   -3.870100     -0.2809000       2.007400    
 H   -1.770900     -0.3017000      -1.769100    
 H   -3.624400      -2.738300       2.131600    
 H   -1.523600      -2.725900      -1.616500    
 H   -2.451000      -3.964400      0.3221000    


%chk=000044435-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044435

0 1
O 0.040651 2.348589 0.805791
N 3.438460 -0.397349 0.144031
N 0.476945 1.489232 -1.309732
C -2.812929 1.523028 0.153960
C 2.061896 -0.232002 -0.380516
C -1.816929 2.266066 -0.792814
C 1.883287 1.177849 -1.002884
C 3.966020 -1.781198 0.021188
C 3.587490 0.167095 1.515811
C -2.668658 0.004764 0.008831
C -0.364939 2.040341 -0.360729
C -4.259778 2.016548 -0.085117
C 4.363881 -2.145843 -1.421887
C 5.022896 0.635926 1.820214
C -2.000706 -0.749484 1.007182
C -3.162543 -0.679502 -1.133967
C -1.832758 -2.147226 0.873304
C -2.997000 -2.075647 -1.272450
C -2.330877 -2.816553 -0.267795
H -2.516174 1.799059 1.183944
H 1.870049 -0.999050 -1.153269
H 1.288047 -0.371429 0.410595
H -2.016924 3.353082 -0.728454
H -1.987308 1.954619 -1.841853
H 2.492532 1.261681 -1.919699
H 2.235929 1.937837 -0.285401
H 4.865023 -1.853325 0.660359
H 3.237662 -2.535529 0.415081
H 3.256903 -0.570370 2.290393
H 2.901775 1.029898 1.603860
H 0.083099 1.187522 -2.201874
H -4.335948 3.101874 0.112450
H -4.588047 1.843179 -1.126923
H -4.968593 1.493901 0.581413
H 3.498969 -2.109227 -2.109497
H 5.125235 -1.438386 -1.794153
H 4.778893 -3.170532 -1.462669
H 5.749578 -0.195862 1.772202
H 5.334839 1.401566 1.088602
H 5.078931 1.071353 2.835540
H -1.605796 -0.232771 1.890308
H -3.690895 -0.122361 -1.917869
H -1.316888 -2.711372 1.658860
H -3.391007 -2.587079 -2.158544
H -2.205894 -3.900310 -0.372225


