%chk=000045498.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045498

0 1
 O    3.187800       2.101200       1.537200    
 O    3.780900       2.175100      -1.175200    
 N   0.1807000      -3.084500     -2.8500000E-02
 C   0.6525000      -2.089500      0.9722000    
 C    1.493400     -0.9503000      0.3901000    
 C  -0.5823000      -1.507100       1.686700    
 C    1.168100      -3.321500      -1.088200    
 C    1.393200      -2.036400      -1.878200    
 C    1.843000     -0.9282000     -0.9712000    
 C   -1.462000     -0.7436000      0.7085000    
 C  -0.1656000      -4.364900      0.6006000    
 C    1.979300      7.3299997E-02   1.222400    
 C    2.596200      0.1353000      -1.489600    
 C   -2.704000     -0.1983000       1.416800    
 C    2.742700       1.120300      0.7032000    
 C    3.043000       1.156200     -0.6543000    
 C   -3.613300      0.5336000      0.4632000    
 C   -3.439500       1.895400      0.2652000    
 C   -4.609900     -0.1660000     -0.2010000    
 C   -4.281200       2.573000     -0.6170000    
 C   -5.451500      0.5114000      -1.083300    
 C    2.339300       3.233300       1.717000    
 C    5.196500       2.001400      -1.205500    
 C   -5.287200       1.880900      -1.291200    
 H    1.295400      -2.595400       1.706200    
 H  -0.2796000     -0.8399000       2.502900    
 H   -1.164200      -2.299000       2.171600    
 H   0.8004000      -4.083600      -1.786600    
 H    2.114200      -3.690500     -0.6689000    
 H   0.4703000      -1.729100      -2.385600    
 H    2.151400      -2.225400      -2.647400    
 H  -0.9205000      9.6000001E-02  0.2574000    
 H   -1.781700      -1.392100     -0.1161000    
 H  -0.9717000      -4.254700       1.331300    
 H   0.6952000      -4.822500       1.101600    
 H  -0.5382000      -5.071400     -0.1503000    
 H    1.767400      5.7399999E-02   2.288900    
 H    2.843300      0.1591000      -2.548700    
 H   -2.409100      0.4748000       2.232300    
 H   -3.259000      -1.017300       1.892800    
 H   -2.657500       2.442700      0.7839000    
 H   -4.744600      -1.232900     -4.7400001E-02
 H   -4.152900       3.639100     -0.7795000    
 H   -6.234400     -2.7500000E-02  -1.608900    
 H    1.381200       2.929500       2.150500    
 H    2.174800       3.746800      0.7644000    
 H    2.831800       3.924600       2.406400    
 H    5.464100       1.142200      -1.828500    
 H    5.590300       1.869000     -0.1929000    
 H    5.642600       2.900600      -1.639200    
 H   -5.942400       2.408200      -1.978400    


%chk=000045498-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045498

0 1
O 3.351363 1.997488 1.613088
O 3.896291 2.142569 -1.265825
N 0.222534 -3.152247 -0.017060
C 0.648795 -2.113958 0.968911
C 1.510408 -1.004799 0.349102
C -0.606736 -1.512001 1.680054
C 1.130601 -3.339706 -1.170741
C 1.250235 -2.024308 -1.957073
C 1.777247 -0.932297 -1.044152
C -1.564724 -0.766321 0.729822
C -0.121673 -4.431987 0.630469
C 2.049978 -0.009349 1.200720
C 2.579439 0.119818 -1.547016
C -2.834334 -0.246561 1.459671
C 2.828660 1.049509 0.697296
C 3.115317 1.105710 -0.697141
C -3.779966 0.488942 0.521407
C -3.680934 1.892972 0.340029
C -4.751675 -0.218845 -0.233502
C -4.523942 2.571510 -0.569166
C -5.597948 0.453693 -1.143583
C 2.857060 3.378584 1.407928
C 5.307257 2.162799 -0.815482
C -5.486491 1.853257 -1.315938
H 1.271882 -2.593981 1.770322
H -0.263814 -0.828127 2.482155
H -1.156616 -2.328322 2.190144
H 0.697070 -4.129640 -1.812599
H 2.151421 -3.684360 -0.861651
H 0.248020 -1.757465 -2.346128
H 1.920625 -2.156783 -2.826969
H -1.040305 0.089134 0.261180
H -1.857830 -1.447674 -0.090720
H -0.896491 -4.281603 1.401446
H 0.755869 -4.926498 1.120632
H -0.530310 -5.128924 -0.122987
H 1.871340 -0.032351 2.281439
H 2.815970 0.178048 -2.615396
H -2.523914 0.423447 2.286514
H -3.354210 -1.108834 1.923878
H -2.937953 2.456802 0.918484
H -4.845213 -1.304630 -0.103250
H -4.433154 3.656956 -0.693105
H -6.344572 -0.110356 -1.714786
H 1.765503 3.422467 1.586748
H 3.082020 3.731163 0.385133
H 3.383529 3.993497 2.154013
H 5.824439 1.241597 -1.145783
H 5.370875 2.253148 0.284094
H 5.758756 3.040577 -1.302888
H -6.142998 2.377038 -2.020035


