%chk=000040696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040696

0 1
 O  -0.3158000      0.4268000      0.8901000    
 O    1.739200       1.624700       2.373200    
 O  -0.9860000      -2.351000      0.7674000    
 O  -0.4896000      -2.451100      -1.478200    
 N    3.782200      0.1620000     -0.3465000    
 C   -1.775600       2.861300      0.7603000    
 C   -2.176500       1.638400      2.7999999E-03
 C   -1.430100      0.4636000      9.5299996E-02
 C    2.030500      0.6999000       1.321500    
 C    3.415200       1.033500      0.7614000    
 C   0.9191000      0.7850000      0.2777000    
 C   -1.820400     -0.6688000     -0.6198000    
 C    5.077700      0.5368000     -0.8968000    
 C   -2.956700     -0.6261000      -1.427700    
 C   -3.312800       1.680900     -0.8051000    
 C   -2.843200       3.295200       1.781500    
 C   -1.429100       4.039800     -0.1680000    
 C   -3.702900      0.5487000      -1.520400    
 C   -1.037300      -1.895700     -0.5200000    
 C    5.678700     -0.6539000      -1.637000    
 C    4.930800       1.740700      -1.823000    
 C   -3.399000      -1.822700      -2.205700    
 C  -0.2422000      -3.552900      0.9951000    
 C  -0.8673000      -4.317200       2.152200    
 C    1.211100      -3.197800       1.269700    
 H  -0.8745000       2.668000       1.352200    
 H    2.035400     -0.2947000       1.778600    
 H    4.148000      0.9544000       1.575100    
 H    3.413500       2.086700      0.4569000    
 H   0.8501000       1.805800     -0.1160000    
 H    1.118600      0.1022000     -0.5556000    
 H    5.779200      0.7913000     -9.1399997E-02
 H   -3.909900       2.584300     -0.8939000    
 H    3.807900     -0.8002000     -9.1000004E-03
 H   -3.772600       3.611000       1.295800    
 H   -3.083900       2.473500       2.465300    
 H   -2.480400       4.136400       2.382200    
 H   -2.301300       4.389800     -0.7304000    
 H  -0.6567000       3.754100     -0.8905000    
 H   -1.047900       4.886400      0.4134000    
 H   -4.589900      0.5996000      -2.146300    
 H    6.658900     -0.3966000      -2.052800    
 H    5.819800      -1.507900     -0.9649000    
 H    5.038200     -0.9772000      -2.465600    
 H    5.890100       1.977800      -2.296700    
 H    4.608100       2.639000      -1.288300    
 H    4.207800       1.544000      -2.623100    
 H   -4.395200      -1.677300      -2.638400    
 H   -3.461500      -2.706900      -1.562600    
 H   -2.707000      -2.019300      -3.030800    
 H    1.702200       2.516200       1.986400    
 H  -0.2931000      -4.204500      0.1137000    
 H   -1.912600      -4.556800       1.929400    
 H  -0.3295000      -5.248800       2.352700    
 H  -0.8718000      -3.710300       3.064200    
 H    1.643500      -2.639100      0.4332000    
 H    1.813900      -4.096200       1.434200    
 H    1.293000      -2.558500       2.155100    


%chk=000040696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040696

0 1
O -0.078996 0.883843 0.844154
O 1.841078 3.259903 1.677076
O -0.781186 -2.570034 0.070770
O 0.595969 -1.318400 -1.330878
N 3.948355 0.373149 0.472520
C -1.955585 3.109593 1.006582
C -2.237739 1.846212 0.190568
C -1.288523 0.793730 0.107008
C 2.114055 1.901196 1.160494
C 3.560254 1.788763 0.606459
C 1.091284 1.447993 0.117906
C -1.560125 -0.404043 -0.603661
C 4.873404 -0.018655 -0.623321
C -2.806890 -0.590584 -1.259441
C -3.470349 1.652471 -0.481002
C -2.932283 3.219893 2.208218
C -2.018006 4.386128 0.126841
C -3.748678 0.465159 -1.190134
C -0.470721 -1.439572 -0.675282
C 5.378826 -1.448186 -0.338706
C 4.156813 0.042030 -1.991556
C -3.124280 -1.870429 -2.012714
C 0.278889 -3.650063 0.145110
C -0.477076 -4.919531 0.540628
C 1.352738 -3.215062 1.153521
H -0.934152 3.021473 1.420410
H 2.014117 1.260357 2.053005
H 4.224719 2.376441 1.279713
H 3.611958 2.267122 -0.392008
H 0.763147 2.302870 -0.512809
H 1.516654 0.655407 -0.521683
H 5.763192 0.659686 -0.664044
H -4.230999 2.441242 -0.440290
H 4.219783 -0.038869 1.373256
H -3.981095 3.315015 1.868401
H -2.862918 2.327849 2.855696
H -2.690092 4.109214 2.819320
H -3.032524 4.543680 -0.285603
H -1.316712 4.323915 -0.726180
H -1.756947 5.278127 0.726182
H -4.714322 0.347475 -1.695383
H 6.058088 -1.788924 -1.139653
H 5.931570 -1.498366 0.619667
H 4.522352 -2.145796 -0.285444
H 4.846568 -0.264467 -2.799918
H 3.805271 1.063683 -2.227426
H 3.278493 -0.628285 -1.988595
H -4.100246 -1.795793 -2.521099
H -3.155836 -2.735516 -1.325486
H -2.357913 -2.092144 -2.779252
H 1.879132 3.900202 0.920349
H 0.720826 -3.737630 -0.865354
H -1.255262 -5.163579 -0.203000
H 0.224736 -5.770862 0.604323
H -0.961611 -4.792028 1.524412
H 1.850813 -2.287544 0.824084
H 2.117583 -4.008409 1.248690
H 0.900799 -3.044753 2.146560


