%chk=000026851.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026851

0 1
 O  -0.5421000     -0.7026000     -0.9896000    
 O    5.140800       1.526600      0.7436000    
 N   -3.887600      0.1360000      0.3104000    
 C   -2.831000     -0.6734000     -0.2956000    
 C   -5.111700     -0.6502000      0.4595000    
 C   -4.142000       1.330200     -0.4944000    
 C   -1.543100      0.1260000     -0.4130000    
 C   -4.874300      -1.894200       1.290400    
 C   -5.190800       2.216900      0.1445000    
 C   0.7560000     -0.4395000     -0.6377000    
 C    1.683700      -1.474200     -0.6071000    
 C    1.131400      0.8597000     -0.3155000    
 C    3.389700      9.4599999E-02  7.5199999E-02
 C    3.005000      -1.206200     -0.2493000    
 C    2.452800       1.127500      4.2100001E-02
 C    4.767200      0.3738000      0.4488000    
 C    5.796000     -0.7510000      0.4878000    
 H   -3.123200      -1.056700      -1.282600    
 H   -2.586600      -1.549300      0.3154000    
 H   -5.872900     -7.5700000E-02  0.9975000    
 H   -5.537100     -0.9327000     -0.5119000    
 H   -3.254700       1.966000     -0.5519000    
 H   -4.439100       1.079700      -1.520500    
 H   -1.258600      0.4717000      0.5899000    
 H   -1.644100      0.9797000      -1.087800    
 H   -4.343700      -2.674800      0.7364000    
 H   -4.323400      -1.671800       2.210900    
 H   -5.837100      -2.326500       1.586100    
 H   -6.202200       1.812300      3.9400000E-02
 H   -4.986000       2.389400       1.206800    
 H   -5.196100       3.195900     -0.3485000    
 H    1.387500      -2.488500     -0.8590000    
 H   0.4417000       1.696900     -0.3562000    
 H    3.701100      -2.039100     -0.2364000    
 H    2.730000       2.150000      0.2850000    
 H    5.911700      -1.192300     -0.5056000    
 H    5.505100      -1.504300       1.224500    
 H    6.764500     -0.3396000      0.7896000    


%chk=000026851-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026851

0 1
O -0.517016 -0.920993 -0.562851
O 5.251552 1.355332 1.275231
N -4.081979 0.063993 -0.035741
C -2.928862 -0.750386 -0.490929
C -5.248811 -0.746019 0.404593
C -4.438913 1.144096 -0.996865
C -1.622411 -0.116870 0.004656
C -5.022926 -1.430384 1.765924
C -5.123104 2.348941 -0.323515
C 0.792742 -0.556463 -0.251916
C 1.805464 -1.375938 -0.816606
C 1.145764 0.550501 0.567318
C 3.531879 0.015417 0.250110
C 3.156513 -1.090387 -0.566118
C 2.503970 0.822929 0.807300
C 4.958203 0.360269 0.544214
C 6.063992 -0.508363 -0.052878
H -2.888563 -0.856649 -1.599365
H -3.003187 -1.770880 -0.076676
H -6.113624 -0.064056 0.494381
H -5.527658 -1.511587 -0.363020
H -3.503375 1.492754 -1.473879
H -5.084634 0.753171 -1.823279
H -1.581939 -0.138029 1.110375
H -1.533553 0.933205 -0.339418
H -4.180042 -2.145220 1.735112
H -4.800617 -0.674154 2.538741
H -5.925046 -1.993763 2.069230
H -6.084090 2.070102 0.144983
H -4.470580 2.765277 0.463519
H -5.332301 3.139515 -1.068094
H 1.504039 -2.221718 -1.441872
H 0.378009 1.189704 1.012328
H 3.923484 -1.733773 -1.009631
H 2.803961 1.669651 1.434131
H 6.017716 -0.508885 -1.157987
H 5.972801 -1.557962 0.283976
H 7.039940 -0.112080 0.265717


