%chk=000059653.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059653

0 1
 O   -3.798000      -1.303400     -0.6828000    
 O    2.565800      0.9035000      0.8007000    
 O    3.963000      -1.266900     -0.4804000    
 N  -0.1383000      -1.590000      0.5143000    
 C  -0.5466000      -1.455200     -0.8864000    
 C   -1.304900      -1.937100       1.330200    
 C   -2.841000     -0.3842000     -0.1469000    
 C   -1.618900     -0.3645000      -1.102300    
 C   -2.421900     -0.8731000       1.264800    
 C  -0.9371000      -2.849900      -1.409000    
 C   -1.751400      -3.361700      0.9542000    
 C   -1.930200      -3.616800     -0.5399000    
 C   0.6023000     -0.4376000       1.016800    
 C   -3.584000      0.9638000     -0.1281000    
 C    1.893000     -0.2312000      0.2378000    
 C    2.793600      -1.456400      0.3226000    
 C   -3.585400       1.769000      -1.263800    
 C   -4.251100       1.370300       1.024200    
 C   -4.258800       2.990400      -1.247000    
 C   -4.924700       2.591800       1.040900    
 C    3.856600       1.011900      0.3543000    
 C   -4.928400       3.401700     -9.4800003E-02
 C    4.529900     -3.6400001E-02 -0.2765000    
 C    4.501300       2.231400      0.5633000    
 C    5.833200      0.1479000     -0.7385000    
 C    5.809600       2.410500      0.1134000    
 C    6.472600       1.372100     -0.5414000    
 H   0.3010000      -1.184600      -1.523800    
 H  -0.9928000      -2.001900       2.382100    
 H   -1.949800     -0.4319000      -2.147300    
 H   -1.105500      0.6019000      -1.002000    
 H   -2.064900     -1.3700000E-02   1.848800    
 H   -3.296300      -1.272100       1.796100    
 H  -2.0800000E-02  -3.454100      -1.473000    
 H   -1.322400      -2.781500      -2.433500    
 H   -2.672400      -3.627700       1.486600    
 H  -0.9836000      -4.059800       1.316900    
 H   -2.952800      -3.385800     -0.8421000    
 H   -1.827600      -4.691500     -0.7373000    
 H   1.6000001E-02  0.4890000      0.9982000    
 H   0.8585000     -0.5938000       2.073700    
 H    1.697000      3.8199998E-02 -0.8062000    
 H   -4.059700      -1.002300      -1.569700    
 H    3.112400      -1.658000       1.353600    
 H    2.299800      -2.355300     -5.8200002E-02
 H   -3.094000       1.475600      -2.185400    
 H   -4.290600      0.7618000       1.921400    
 H   -4.266300       3.619200      -2.132500    
 H   -5.450600       2.910400       1.936200    
 H   -5.454700       4.351600     -8.2500003E-02
 H    3.989100       3.048100       1.064500    
 H    6.360200     -0.6584000      -1.241500    
 H    6.311300       3.361100      0.2692000    
 H    7.489800       1.515700     -0.8944000    


%chk=000059653-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059653

0 1
O -4.070840 -1.494312 -0.438359
O 2.576244 1.056032 0.171925
O 4.240895 -1.352397 0.183205
N -0.181099 -1.460866 0.259610
C -0.759690 -1.515426 -1.117207
C -1.223172 -1.860761 1.253344
C -3.019799 -0.480876 -0.151405
C -1.942156 -0.502914 -1.286276
C -2.435985 -0.875722 1.241982
C -1.065833 -2.998643 -1.452874
C -1.545806 -3.361170 1.034430
C -1.978021 -3.693315 -0.413789
C 0.571098 -0.230834 0.584008
C -3.697530 0.909602 -0.037270
C 2.004988 -0.310370 0.034551
C 2.889892 -1.309361 0.785708
C -2.929815 2.103717 0.024610
C -5.106874 1.013607 0.077046
C -3.552040 3.362317 0.168798
C -5.733415 2.273559 0.217863
C 3.975982 1.107126 -0.032009
C -4.960467 3.454790 0.259435
C 4.782844 -0.065748 -0.043627
C 4.567650 2.370822 -0.233176
C 6.167562 0.035793 -0.288442
C 5.956637 2.470536 -0.464873
C 6.755185 1.301157 -0.503397
H 0.027214 -1.186687 -1.825132
H -0.763272 -1.774567 2.258520
H -2.451016 -0.683615 -2.255260
H -1.501956 0.506391 -1.371913
H -2.110022 0.057219 1.738896
H -3.272426 -1.279237 1.842776
H -0.089931 -3.520768 -1.495912
H -1.517274 -3.063173 -2.462981
H -2.332870 -3.676639 1.746565
H -0.625334 -3.924309 1.285854
H -3.018695 -3.362436 -0.557299
H -1.947752 -4.788954 -0.568617
H 0.118091 0.709408 0.191732
H 0.618847 -0.121044 1.684510
H 2.002020 -0.573694 -1.042803
H -4.429731 -1.312979 -1.345705
H 2.976015 -1.017558 1.851953
H 2.481769 -2.327114 0.699032
H -1.834668 2.062744 -0.024627
H -5.706669 0.098172 0.074361
H -2.938316 4.269218 0.212709
H -6.824853 2.329570 0.302163
H -5.444777 4.431534 0.368876
H 3.924863 3.256776 -0.213465
H 6.763118 -0.882602 -0.296566
H 6.410425 3.454620 -0.621585
H 7.831266 1.373479 -0.692295


