%chk=000126397.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126397

0 1
 O    3.391600     -4.4900000E-02 -0.3066000    
 O    5.414200     -0.3137000      0.7768000    
 N   0.6880000      0.4170000      0.3377000    
 N   -1.019200       1.974800     -0.2662000    
 N   -3.036700      -1.927300      -1.027200    
 N   -3.470700       2.315000     -0.6381000    
 C    1.647400       1.505600      0.2486000    
 C    3.027200      0.9834000      0.6050000    
 C   -1.667200     -0.3075000      0.1326000    
 C  -0.5732000      0.6469000      9.3500003E-02
 C   -2.384500     -0.5282000       1.303100    
 C   -2.029500      -1.026100     -0.9953000    
 C   -3.427600      -1.447700       1.309700    
 C   -3.711300      -2.115100      0.1292000    
 C    4.619700     -0.6117000     -0.1046000    
 C    4.866600      -1.673200      -1.133400    
 C   -2.334800       2.152700     -0.4649000    
 H    1.674300       1.895200     -0.7761000    
 H    1.390600       2.315300      0.9409000    
 H    3.023200      0.5790000       1.624400    
 H    3.755200       1.800700      0.5460000    
 H   -2.138900      9.3999999E-03   2.215000    
 H   -1.506500     -0.8983000      -1.938300    
 H   -4.000400      -1.635800       2.210500    
 H  -0.3506000       2.732500     -0.3419000    
 H   -4.515300      -2.842200      8.1799999E-02
 H    4.853500      -1.230600      -2.132600    
 H    4.107800      -2.455100      -1.048200    
 H    5.849700      -2.121500     -0.9634000    


%chk=000126397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126397

0 1
O 3.218998 0.114411 -0.411885
O 5.241870 -0.799613 0.293484
N 0.616567 0.503735 0.956830
N -0.894792 2.018484 -0.166763
N -2.063272 -2.717236 0.395586
N -2.764732 2.476554 -1.844329
C 1.727558 1.470207 0.919238
C 3.061524 0.724774 0.936065
C -1.601342 -0.307151 0.448945
C -0.551013 0.747538 0.432487
C -2.985792 -0.031939 0.586920
C -1.197069 -1.668420 0.357252
C -3.894829 -1.110774 0.624608
C -3.394650 -2.428675 0.527515
C 4.374411 -0.660309 -0.597223
C 4.383617 -1.287822 -1.972886
C -1.887264 2.247371 -1.058886
H 1.721229 2.143642 0.030296
H 1.686969 2.106706 1.829015
H 3.060331 -0.071980 1.698996
H 3.911261 1.406379 1.122358
H -3.352477 0.994934 0.680568
H -0.133462 -1.906524 0.256270
H -4.969043 -0.934821 0.732442
H -0.251078 2.794320 0.008380
H -4.068672 -3.292020 0.558597
H 3.830144 -0.669452 -2.695874
H 3.895090 -2.278256 -1.924695
H 5.422519 -1.435465 -2.305310


