%chk=000029682.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029682

0 1
 O    1.976500     -0.5758000      0.9574000    
 O    2.385400      0.1659000      -1.222000    
 N   -3.134100      -1.865000     -0.5518000    
 N   -3.307800       3.968600     -5.7100002E-02
 C   -2.889800      0.2021000      0.2194000    
 C   -1.620700     -0.4402000      0.2585000    
 C   -1.801700      -1.735700     -0.2304000    
 C   -3.188100       1.586100      0.6392000    
 C   -3.799700     -0.6990000     -0.2837000    
 C  -0.3312000     -4.2500000E-02  0.6642000    
 C   -3.036200       2.606500     -0.5038000    
 C  -0.7535000      -2.657200     -0.3342000    
 C   0.7267000     -0.9534000      0.5661000    
 C   0.5167000      -2.240200      7.4299999E-02
 C    4.109500      0.3742000      0.4851000    
 C    5.011900      0.9821000     -0.5855000    
 C    2.752200     -1.9000000E-03 -6.6799998E-02
 C    6.384000       1.325300     -2.8899999E-02
 H   -4.211800       1.636600       1.033600    
 H   -2.531700       1.869000       1.472400    
 H   -4.860500     -0.6169000     -0.4759000    
 H   -3.558600      -2.700100     -0.9310000    
 H  -0.1567000      0.9589000       1.048600    
 H   -3.724000       2.357100      -1.320000    
 H   -2.020300       2.561000     -0.9137000    
 H  -0.9162000      -3.659100     -0.7168000    
 H    1.348400      -2.937500      4.4000000E-03
 H    3.960000       1.093500       1.297900    
 H    4.573600     -0.5319000      0.8901000    
 H    4.548700       1.888200     -0.9943000    
 H    5.126400      0.2811000      -1.421000    
 H   -3.137900       4.616400     -0.8252000    
 H   -2.653700       4.222800      0.6819000    
 H    6.306000       2.051400      0.7866000    
 H    6.887200      0.4315000      0.3533000    
 H    7.012800       1.760300     -0.8121000    


%chk=000029682-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029682

0 1
O 2.080326 -0.846235 0.032106
O 2.096963 1.501179 0.240431
N -3.385617 -2.039436 0.112196
N -3.030251 3.913168 -0.659247
C -2.939770 0.200709 0.314250
C -1.682582 -0.520921 0.190124
C -1.993050 -1.920848 0.065833
C -3.116119 1.692505 0.448361
C -3.949323 -0.761219 0.263078
C -0.327743 -0.091259 0.186358
C -2.841390 2.463020 -0.871224
C -0.985611 -2.902638 -0.066149
C 0.662794 -1.082192 0.055207
C 0.350480 -2.467615 -0.071444
C 4.208677 0.218954 0.080105
C 4.991425 1.546451 0.104079
C 2.700410 0.411718 0.129293
C 6.516442 1.314526 0.077946
H -4.141411 1.942199 0.776089
H -2.429840 2.082229 1.229321
H -5.028013 -0.627875 0.327517
H -3.906990 -2.911023 0.057289
H -0.059708 0.960778 0.283435
H -3.567093 2.126762 -1.635010
H -1.827606 2.184877 -1.245404
H -1.222716 -3.967647 -0.160895
H 1.176455 -3.177785 -0.170261
H 4.497866 -0.423075 0.936094
H 4.451499 -0.369464 -0.826335
H 4.707973 2.120607 1.005761
H 4.685928 2.166141 -0.759785
H -3.062695 4.463753 -1.523020
H -2.373663 4.315857 0.018557
H 6.848063 0.724841 0.953556
H 6.824643 0.766475 -0.832584
H 7.063047 2.274682 0.093173


