%chk=000045129.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045129

0 1
 O  -3.9200000E-02  9.3199998E-02  -1.249000    
 O   0.5808000      -1.748000     -1.4200000E-02
 N   -4.178300      0.1516000     -0.6282000    
 C   -1.380000     -0.3790000      -1.282600    
 C   -1.922900     -0.5104000      0.1376000    
 C   -2.231600      0.6001000      -2.084600    
 C   -3.413600     -0.8464000      0.1334000    
 C   -3.713100      0.2305000      -2.020500    
 C   -5.607700     -0.1555000     -0.5831000    
 C   -6.095000     -0.2024000      0.8641000    
 C   -7.592900     -0.5013000      0.9334000    
 C   0.8587000     -0.6944000     -0.5731000    
 C    2.258800     -9.6600004E-02 -0.6721000    
 C   -8.078700     -0.5847000       2.371700    
 C    3.336500      -1.006800     -9.6900001E-02
 C    2.362200       1.322700     -0.1295000    
 C    3.663600     -0.8897000       1.237900    
 C    3.293300       2.179500     -0.6790000    
 C    3.950600      -1.919500     -0.9287000    
 C    1.521300       1.707400      0.8941000    
 C    4.650100      -1.723100       1.764900    
 C    3.388000       3.479500     -0.1823000    
 C    4.937100      -2.753100     -0.4016000    
 C    1.616000       3.007600       1.390700    
 C    5.286800      -2.654800      0.9452000    
 C    2.549300       3.893500      0.8523000    
 H   -1.399100      -1.355000      -1.785700    
 H   -1.753400      0.4282000      0.6832000    
 H   -1.426500      -1.283900      0.7268000    
 H   -1.891900      0.6187000      -3.127300    
 H   -2.081300       1.620000      -1.705700    
 H   -3.689400     -0.8570000       1.190800    
 H   -3.568600      -1.856600     -0.2673000    
 H   -4.280300      0.9996000      -2.558600    
 H   -3.877500     -0.7213000      -2.542500    
 H   -5.822600      -1.110800      -1.079800    
 H   -6.166700      0.6232000      -1.116900    
 H   -5.611800      -1.000800       1.434400    
 H   -5.882000      0.7480000       1.369100    
 H   -8.152700      0.2822000      0.4094000    
 H   -7.809400      -1.449000      0.4265000    
 H    2.441400     -2.8800000E-02  -1.756800    
 H   -9.153100     -0.7920000       2.397000    
 H   -7.566200      -1.385300       2.914500    
 H   -7.902200      0.3574000       2.900600    
 H    3.175300     -0.1957000       1.912000    
 H    3.950600       1.865200      -1.484100    
 H    3.683300      -2.005400      -1.977400    
 H   0.7989000       1.034000       1.344000    
 H    4.918800      -1.650900       2.814700    
 H    4.115000       4.169300     -0.6009000    
 H    5.432200      -3.479400      -1.039500    
 H   0.9661000       3.329000       2.199300    
 H    6.053800      -3.304800       1.355800    
 H    2.623800       4.905300       1.239800    


%chk=000045129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045129

0 1
O -0.075996 -0.162972 -0.720738
O 0.842759 -0.909051 1.289247
N -4.310168 -0.643168 -0.539661
C -1.393824 -0.797501 -0.364999
C -2.200992 0.139779 0.546507
C -2.126936 -1.049655 -1.685296
C -3.619486 -0.432663 0.757704
C -3.546238 -1.585497 -1.396387
C -5.725382 -1.068765 -0.382758
C -6.643609 0.026904 0.197134
C -8.133387 -0.387107 0.171007
C 0.956036 -0.287483 0.205977
C 2.216065 0.420316 -0.309382
C -9.061331 0.688526 0.775668
C 3.339569 -0.612198 -0.524774
C 2.640073 1.587753 0.599288
C 4.007243 -1.220194 0.567552
C 3.215877 2.733085 -0.008212
C 3.706973 -0.974886 -1.844205
C 2.514511 1.553563 2.011452
C 5.026742 -2.170082 0.340556
C 3.662483 3.820314 0.774032
C 4.729815 -1.923703 -2.072606
C 2.957576 2.644068 2.794132
C 5.393735 -2.524374 -0.979231
C 3.534612 3.779568 2.181861
H -1.173388 -1.744814 0.164829
H -2.276663 1.132289 0.065681
H -1.694313 0.255957 1.521044
H -1.566237 -1.773522 -2.304663
H -2.203678 -0.099898 -2.245084
H -4.204785 0.275783 1.367903
H -3.551188 -1.392236 1.338372
H -4.091401 -1.712278 -2.349715
H -3.470456 -2.600958 -0.921575
H -5.809251 -1.993960 0.248022
H -6.099724 -1.337562 -1.390605
H -6.360533 0.261669 1.242566
H -6.498097 0.954145 -0.390827
H -8.437592 -0.592236 -0.875813
H -8.261135 -1.339720 0.725248
H 1.950588 0.836493 -1.296122
H -10.121277 0.376797 0.737509
H -8.804578 0.884217 1.833959
H -8.969237 1.644574 0.226836
H 3.728283 -0.952554 1.591459
H 3.319808 2.770099 -1.099774
H 3.190080 -0.514956 -2.695683
H 2.058992 0.681960 2.493248
H 5.536307 -2.633800 1.192798
H 4.105328 4.696581 0.287138
H 5.006167 -2.191897 -3.098646
H 2.850695 2.605363 3.884267
H 6.187528 -3.259694 -1.152685
H 3.877638 4.622878 2.791746


