%chk=000002487.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002487

0 1
 O  -0.3176000       1.186800       2.033000    
 O   -5.339800      -1.335500     -0.4792000    
 N    1.571900     -0.2481000     -0.8238000    
 C   -1.004200       1.078000     -0.3410000    
 C   0.1761000       1.145700      0.6814000    
 C    1.005600     -0.1546000      0.5365000    
 C  -0.4283000      0.8682000      -1.775900    
 C   -1.809000       2.410800     -0.2987000    
 C    1.043700       2.410900      0.5005000    
 C   -1.883000     -0.1538000     -2.9400000E-02
 C   0.5606000     -0.3011000      -1.879900    
 C   0.1420000      -1.361600      0.9807000    
 C  -0.9481000       3.672800     -0.4132000    
 C   0.2160000       3.693700      0.5671000    
 C   -1.314000      -1.300700      0.5719000    
 C    2.554800      -1.316300     -0.9733000    
 C    3.608600      -1.235800      8.4500000E-02
 C    4.422500      7.4800000E-02  9.2399999E-02
 C    4.926100      -1.962200     -0.2575000    
 C   -3.243100     -0.1974000     -0.3867000    
 C    5.660600     -0.7859000      0.4191000    
 C   -2.114500      -2.426300      0.8325000    
 C   -4.024700      -1.325000     -0.1269000    
 C   -3.462300      -2.437400      0.4860000    
 H    1.813500     -6.4599998E-02   1.270600    
 H   9.2799999E-02   1.770700      -2.115000    
 H   -1.241800      0.7071000      -2.495700    
 H   -2.372400       2.465100      0.6429000    
 H   -2.549900       2.445700      -1.106400    
 H    1.584000       2.392800     -0.4526000    
 H    1.805400       2.457500       1.289300    
 H   2.3000000E-02  -1.256900      -1.872700    
 H    1.048800     -0.2352000      -2.860700    
 H   0.1645000      -1.408400       2.078700    
 H   0.5786000      -2.304700      0.6348000    
 H   -1.578500       4.554100     -0.2448000    
 H  -0.5633000       3.768200      -1.435000    
 H   0.8577000       4.557800      0.3607000    
 H  -0.1711000       3.827200       1.584600    
 H    2.083600      -2.306400     -0.9611000    
 H    3.016300      -1.215900      -1.964800    
 H    3.269800      -1.543900       1.083800    
 H   0.4469000       1.190200       2.634000    
 H    4.148000      0.8061000      0.8572000    
 H    4.493100      0.5848000     -0.8759000    
 H    5.146000      -2.052000      -1.327900    
 H    5.067200      -2.938500      0.2139000    
 H   -3.709300      0.6483000     -0.8840000    
 H    6.595900     -0.4736000     -5.1899999E-02
 H    5.828900     -0.9285000       1.492700    
 H   -1.683500      -3.304600       1.307500    
 H   -4.064900      -3.317400      0.6921000    
 H   -5.564100     -0.4841000     -0.8923000    


%chk=000002487-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002487

0 1
O -0.560233 1.195906 2.067412
O -5.469130 -1.319068 -0.645628
N 1.546961 -0.299133 -0.696757
C -1.043027 1.082193 -0.311722
C 0.110795 1.137108 0.739433
C 0.928622 -0.183672 0.656851
C -0.399570 0.859134 -1.726979
C -1.834278 2.425314 -0.289635
C 1.008807 2.386191 0.590123
C -1.943773 -0.139727 -0.022260
C 0.536831 -0.362619 -1.784441
C 0.028612 -1.377277 1.088072
C -0.936547 3.679890 -0.423049
C 0.189376 3.694671 0.635666
C -1.403141 -1.317172 0.567479
C 2.590289 -1.343675 -0.833727
C 3.792101 -1.154895 0.099563
C 4.664325 0.140215 -0.055871
C 5.074430 -2.012683 -0.204029
C -3.301311 -0.142585 -0.429986
C 5.951468 -0.744870 0.094526
C -2.235872 -2.452843 0.727612
C -4.112976 -1.284754 -0.255726
C -3.583427 -2.457334 0.323085
H 1.764451 -0.102050 1.379422
H 0.173022 1.756283 -2.022036
H -1.214619 0.727486 -2.464484
H -2.394106 2.478723 0.662890
H -2.575308 2.434822 -1.113164
H 1.585281 2.309443 -0.348734
H 1.759400 2.373818 1.410483
H -0.060191 -1.305630 -1.750440
H 1.078409 -0.360321 -2.750139
H -0.011641 -1.396451 2.195004
H 0.507759 -2.327921 0.778578
H -1.565831 4.584979 -0.317112
H -0.491553 3.728754 -1.437094
H 0.857125 4.563108 0.474886
H -0.263452 3.810542 1.639787
H 2.182550 -2.380653 -0.697014
H 2.954148 -1.292047 -1.880049
H 3.495693 -1.297877 1.156508
H 0.134448 1.390272 2.748182
H 4.512376 0.948650 0.678918
H 4.562987 0.566891 -1.069827
H 5.123924 -2.306980 -1.268862
H 5.247490 -2.906762 0.418170
H -3.737951 0.755697 -0.883845
H 6.787529 -0.539762 -0.594256
H 6.338266 -0.744570 1.129047
H -1.815407 -3.357070 1.185872
H -4.224551 -3.334658 0.447608
H -5.744479 -0.444130 -1.016212


