%chk=000041265.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041265

1 1
 O   -3.814000      -1.888300      -2.002600    
 O    3.496700       1.760200     -0.9945000    
 O    4.932000     -0.3724000      5.4400001E-02
 N   -1.315800      -1.605000      0.2760000    
 N   -3.245600      0.1866000      -1.284500    
 C  -0.5035000      -2.879100      0.3561000    
 C  -0.7274000     -0.4430000      0.2631000    
 C   -2.795100      -1.808800      0.1503000    
 C   0.7422000      -2.658600       1.202000    
 C   0.7747000     -0.3876000      0.1765000    
 C    1.500700      -1.487200      0.6566000    
 C   -1.487200      0.8407000      0.3413000    
 C   -3.295900      -1.176400      -1.134800    
 C   -2.593500       1.126000     -0.4683000    
 C   -3.536900      -1.427200       1.421700    
 C    1.453200      0.6922000     -0.4004000    
 C    2.898500      -1.467600      0.6290000    
 C   -1.009200       1.827000       1.223400    
 C    2.848600      0.6974000     -0.4395000    
 C    3.570000     -0.3748000      8.3200000E-02
 C   -3.112300       2.430600     -0.4863000    
 C   -1.567300       3.104500       1.234200    
 C   -2.604700       3.413000      0.3628000    
 C    3.835300       2.838300     -0.1248000    
 C    5.556800     -0.9405000      -1.094900    
 H  -0.2676000      -3.166900     -0.6748000    
 H   -1.120600      -3.657900      0.8162000    
 H   -2.947900      -2.887500      1.0900000E-02
 H    1.356200      -3.566000       1.180800    
 H   0.4782000      -2.456900       2.247600    
 H   -4.605300      -1.645200       1.312000    
 H   -3.164200      -2.002100       2.277200    
 H   -3.459300     -0.3699000       1.684500    
 H   0.9140000       1.531000     -0.8322000    
 H    3.463700      -2.309300       1.021700    
 H   -3.805700      0.5674000      -2.043400    
 H  -0.1823000       1.620300       1.899100    
 H   -3.948900       2.683800      -1.134400    
 H   -1.179400       3.861400       1.909500    
 H   -3.032000       4.411300      0.3558000    
 H    4.507400       2.497100      0.6688000    
 H    2.932100       3.277600      0.3107000    
 H    4.348600       3.604400     -0.7124000    
 H    5.297600      -1.999900      -1.187900    
 H    6.640100     -0.8548000     -0.9734000    
 H    5.262600     -0.4005000      -2.000500    


%chk=000041265-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041265

1 1
O -4.186902 -2.087769 -1.689052
O 3.481935 1.762983 -0.887922
O 4.930365 -0.697128 -0.012076
N -1.414083 -1.662786 0.352709
N -3.274718 0.013643 -1.331932
C -0.638707 -2.950560 0.317118
C -0.756230 -0.479792 0.267702
C -2.907736 -1.793323 0.377605
C 0.642624 -2.827583 1.151702
C 0.708826 -0.488430 0.204435
C 1.440156 -1.643903 0.644476
C -1.492945 0.802770 0.238340
C -3.507407 -1.315467 -0.967397
C -2.657744 1.033859 -0.564695
C -3.589372 -1.196024 1.632120
C 1.436808 0.628709 -0.304718
C 2.836528 -1.652100 0.573323
C -0.984517 1.889908 1.014735
C 2.837463 0.621995 -0.373622
C 3.558783 -0.552042 0.033331
C -3.210383 2.338847 -0.643272
C -1.567948 3.165820 0.967447
C -2.671194 3.397346 0.108399
C 4.255096 2.545386 0.116351
C 5.698463 -0.254185 -1.214370
H -0.401275 -3.185712 -0.739168
H -1.290260 -3.745641 0.710412
H -3.112637 -2.875380 0.375692
H 1.219220 -3.763980 1.067459
H 0.387126 -2.698752 2.222521
H -4.664710 -1.441342 1.592824
H -3.170143 -1.660284 2.541413
H -3.487879 -0.104619 1.717515
H 0.924777 1.520778 -0.674480
H 3.413695 -2.526792 0.888931
H -3.787140 0.303453 -2.173548
H -0.130369 1.710001 1.674367
H -4.086254 2.509561 -1.279141
H -1.169728 3.974580 1.586506
H -3.121225 4.392782 0.043427
H 5.025570 1.920917 0.604435
H 3.570399 2.961500 0.877476
H 4.726497 3.358975 -0.452713
H 5.611388 -1.043190 -1.980815
H 6.738943 -0.173239 -0.871189
H 5.324444 0.703607 -1.606861


