%chk=000026929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026929

0 1
 O  -0.9340000      -1.075700     -7.8500003E-02
 O   -1.166000       1.616000      0.5477000    
 O   -3.207800      -2.522800     -0.7323000    
 O   -6.998200      0.7891000     -0.4020000    
 N   -6.017000       2.774800      0.1923000    
 C    4.332700     -0.6907000      8.8900000E-02
 C    5.649600     -4.8700001E-02  0.5342000    
 C    3.199600     -0.5216000       1.103400    
 C    6.761800     -0.1531000     -0.5117000    
 C    1.918300      -1.207300      0.6220000    
 C    8.029400      0.5668000     -4.5499999E-02
 C   0.7749000      -1.013500       1.622300    
 C    9.129900      0.4972000      -1.104000    
 C  -0.5211000      -1.660100       1.148400    
 C    10.37920       1.240200     -0.6581000    
 C   -2.161800     -0.4659000     -9.1700003E-02
 C   -2.271400      0.8879000      0.2254000    
 C   -3.301600      -1.199800     -0.4202000    
 C   -3.520800       1.508100      0.2139000    
 C   -4.551000     -0.5796000     -0.4316000    
 C   -4.660600      0.7743000     -0.1146000    
 C   -5.963000       1.421600     -0.1291000    
 C  -0.4804000       2.262100     -0.5231000    
 C   -4.420600      -3.199600      -1.056200    
 H    4.501800      -1.759200     -9.3999997E-02
 H    4.025200     -0.2509000     -0.8682000    
 H    5.982300     -0.5193000       1.467700    
 H    5.467900       1.009500      0.7608000    
 H    3.010100      0.5467000       1.263700    
 H    3.504100     -0.9453000       2.067900    
 H    6.984000      -1.208900     -0.7075000    
 H    6.416900      0.2861000      -1.455700    
 H    2.103400      -2.278700      0.4789000    
 H    1.634900     -0.7944000     -0.3535000    
 H    7.796400       1.616600      0.1708000    
 H    8.386600      0.1162000      0.8885000    
 H   0.6157000      5.9200000E-02   1.777300    
 H    1.057200      -1.444700       2.589800    
 H    9.385200     -0.5493000      -1.307000    
 H    8.771000      0.9321000      -2.044100    
 H   -1.288800      -1.556200       1.926200    
 H  -0.3710000      -2.731900      0.9781000    
 H    10.78220      0.8110000      0.2647000    
 H    10.16380       2.298500     -0.4798000    
 H    11.15340       1.176400      -1.429000    
 H   -3.539300       2.560700      0.4709000    
 H   -5.463900      -1.108900     -0.6813000    
 H   0.3809000       2.792100     -0.1074000    
 H   -1.135100       2.988200      -1.015200    
 H  -0.1205000       1.526500      -1.249400    
 H   -4.158900      -4.239800      -1.276600    
 H   -4.882300      -2.791100      -1.961700    
 H   -5.111400      -3.220600     -0.2065000    
 H   -6.915400       3.247800      0.1962000    
 H   -5.228700       3.363000      0.4294000    


%chk=000026929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026929

0 1
O -0.976449 0.263357 0.655837
O -2.433654 2.670846 1.073080
O -2.255208 -1.933482 -0.546713
O -7.047956 -0.345255 -1.539794
N -7.268862 1.683919 -0.451456
C 4.350314 -0.519435 0.059349
C 5.800966 -0.180774 0.470423
C 3.337637 -0.361915 1.216033
C 6.823290 -0.358239 -0.674987
C 1.882553 -0.677391 0.804617
C 8.270676 -0.008941 -0.260943
C 0.890069 -0.548068 1.981605
C 9.297886 -0.196082 -1.401034
C -0.563619 -0.825328 1.596596
C 10.739742 0.158666 -0.977251
C -2.323934 0.320294 0.278837
C -3.020379 1.549733 0.458178
C -3.016827 -0.772953 -0.332686
C -4.380791 1.665921 0.095144
C -4.375119 -0.651075 -0.684048
C -5.068310 0.562452 -0.458119
C -6.519546 0.591863 -0.860921
C -1.194988 3.201140 0.460912
C -2.920541 -3.057559 -1.216762
H 4.310729 -1.560996 -0.322931
H 4.046195 0.132480 -0.786154
H 6.097660 -0.821852 1.327191
H 5.841690 0.865943 0.838659
H 3.389576 0.675352 1.609098
H 3.636780 -1.025777 2.054938
H 6.788905 -1.407130 -1.037571
H 6.524773 0.276961 -1.535354
H 1.829097 -1.706628 0.392388
H 1.567418 0.002017 -0.010988
H 8.307220 1.042364 0.094484
H 8.567250 -0.638648 0.604238
H 0.957887 0.465633 2.423800
H 1.168332 -1.265679 2.781418
H 9.262532 -1.247294 -1.753504
H 8.999780 0.431153 -2.266078
H -1.232211 -0.785822 2.479213
H -0.679666 -1.798088 1.087166
H 11.071423 -0.475660 -0.133386
H 10.807833 1.213287 -0.649211
H 11.454752 0.016430 -1.808547
H -4.845046 2.644766 0.251433
H -4.936806 -1.465633 -1.149803
H -0.907924 4.054752 1.093831
H -1.399850 3.549503 -0.570136
H -0.402101 2.435894 0.453693
H -2.146548 -3.833669 -1.307608
H -3.280376 -2.764499 -2.220919
H -3.768115 -3.438515 -0.615977
H -8.249212 1.713505 -0.727390
H -6.901127 2.415255 0.152011


