%chk=000047982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047982

0 1
 O   -1.578800      0.8253000     -0.3409000    
 N   -5.098900     -0.2315000     -0.2124000    
 N  -0.4033000      0.2090000      0.1033000    
 C   -5.213200     -0.4769000       1.227300    
 C   -4.992800      -1.501800     -0.9346000    
 C    2.226700       3.781100     -2.5100000E-02
 C    2.312100       2.919400       1.235300    
 C    1.574000       3.117100      -1.238100    
 C   -3.955200      0.6212000     -0.5002000    
 C    2.851500       1.507600       1.000100    
 C   0.3309000       2.306100     -0.8943000    
 C    1.987600      0.6038000      0.1671000    
 C   0.5947000      0.9864000     -0.1821000    
 C   -2.666500     -3.0900000E-02 -2.5300000E-02
 C   -5.331500      0.8550000       1.961500    
 C   -6.415000      -1.371500       1.517700    
 C   -3.723600      -2.241300     -0.5209000    
 C   -5.006700      -1.234700      -2.436400    
 C    2.423500     -0.5594000     -0.3364000    
 C    3.759000      -1.137800     -0.1258000    
 C    4.776600     -0.8476000      -1.022500    
 C    3.979700      -1.963600      0.9665000    
 C    6.043700      -1.395600     -0.8225000    
 C    5.246700      -2.511600       1.166600    
 C    6.278600      -2.227600      0.2720000    
 H   -4.365600     -0.9889000       1.687900    
 H   -5.873200      -2.128000     -0.7578000    
 H    1.670900       4.693800      0.2244000    
 H    3.234400       4.108000     -0.3102000    
 H    2.964500       3.430000       1.955000    
 H    1.326500       2.866600       1.715400    
 H    1.302300       3.904100      -1.952600    
 H    2.309300       2.486500      -1.753100    
 H   -3.879200      0.8715000      -1.564900    
 H   -4.058500       1.619600     -5.9099998E-02
 H    3.848500       1.598500      0.5515000    
 H    2.984600       1.037900       1.983400    
 H  -0.3452000       2.919000     -0.2856000    
 H  -0.1777000       2.076600      -1.839800    
 H   -2.613400     -0.2240000       1.048300    
 H   -2.311300     -0.8350000     -0.6337000    
 H   -6.089900       1.504200       1.508600    
 H   -5.634500      0.6920000       3.002900    
 H   -4.383700       1.400300       2.010800    
 H   -6.232000      -2.421000       1.265900    
 H   -7.314000      -1.030800      0.9912000    
 H   -6.651000      -1.360400       2.588600    
 H   -4.051100      -3.298100     -0.5127000    
 H   -2.964400      -2.324100      -1.310500    
 H   -3.344200      -2.196300      0.5013000    
 H   -5.835500     -0.5758000      -2.719500    
 H   -5.151500      -2.179100      -2.975100    
 H   -4.073800     -0.8066000      -2.816900    
 H    1.773300      -1.173700     -0.9565000    
 H    4.606300     -0.2003000      -1.879000    
 H    3.184200      -2.192700       1.670700    
 H    6.847300      -1.174400      -1.518800    
 H    5.429900      -3.159400       2.018900    
 H    7.265200      -2.654200      0.4280000    


%chk=000047982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047982

0 1
O -1.411557 0.845430 -0.402878
N -4.956540 -0.463663 -0.315900
N -0.082172 0.365030 0.024477
C -5.231121 -0.640335 1.145709
C -5.253127 -1.653785 -1.175322
C 2.118298 4.218698 0.648645
C 2.321098 3.070906 1.669029
C 1.618597 3.717422 -0.728014
C -3.752210 0.328967 -0.650004
C 3.069766 1.854881 1.076197
C 0.447210 2.721883 -0.619366
C 2.226254 0.930607 0.191711
C 0.817024 1.331393 -0.112718
C -2.387406 -0.241539 -0.181198
C -5.102252 0.702265 1.904809
C -6.650109 -1.210199 1.386930
C -4.432946 -2.940070 -0.852134
C -5.157795 -1.317821 -2.679611
C 2.653149 -0.291198 -0.286041
C 3.925417 -1.016727 -0.129752
C 3.957186 -2.361538 -0.617359
C 5.128553 -0.506423 0.450063
C 5.111718 -3.161108 -0.519789
C 6.287615 -1.306183 0.541521
C 6.289518 -2.636763 0.063959
H -4.504928 -1.354925 1.612838
H -6.316291 -1.892957 -0.984148
H 1.395142 4.948643 1.064154
H 3.073098 4.764477 0.509511
H 2.887586 3.458079 2.538171
H 1.341727 2.736711 2.063918
H 1.300031 4.584935 -1.338032
H 2.451011 3.239921 -1.281420
H -3.717242 0.481302 -1.741180
H -3.853600 1.336553 -0.209415
H 3.955735 2.220447 0.515224
H 3.468112 1.241162 1.909662
H -0.364607 3.132901 0.014584
H -0.023603 2.577644 -1.613354
H -2.398914 -0.503119 0.894397
H -2.076217 -1.130792 -0.759102
H -5.761028 1.463616 1.447600
H -5.410761 0.560654 2.956340
H -4.069965 1.093046 1.916168
H -6.764422 -2.249345 1.031892
H -7.403830 -0.579972 0.879581
H -6.866168 -1.210093 2.470573
H -4.844054 -3.802812 -1.409968
H -3.371769 -2.829691 -1.140101
H -4.472274 -3.187626 0.224638
H -5.702165 -0.383147 -2.904089
H -5.612467 -2.134870 -3.269181
H -4.112444 -1.209722 -3.023232
H 1.906165 -0.840616 -0.874756
H 3.049104 -2.776687 -1.072214
H 5.175937 0.519924 0.816163
H 5.096695 -4.189146 -0.898935
H 7.196957 -0.886255 0.987058
H 7.192580 -3.252367 0.140590


