%chk=000038508.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038508

0 1
 O   -3.236200      -1.990500      0.2583000    
 O    3.898400       1.008600      0.1939000    
 N    1.650600      0.6646000      0.3981000    
 N    3.109600      -1.041200     -0.4279000    
 C   -1.965000       2.877500     -0.6030000    
 C  -0.7029000       2.256500     -7.1000000E-03
 C   -3.206300       2.330400      9.0300001E-02
 C  -0.7891000      0.7578000      0.1405000    
 C   -3.318400      0.8227000     -0.1276000    
 C   -2.026100      8.7099999E-02  0.1244000    
 C   0.3884000      2.6200000E-02  0.3567000    
 C   -2.056100      -1.306100      0.2885000    
 C   0.3438000      -1.356900      0.5286000    
 C  -0.8777000      -2.023000      0.4925000    
 C    2.855400      0.1442000      3.3000000E-02
 C    5.059800      0.2213000     -1.5100000E-02
 C    4.547300      -1.014300     -0.7122000    
 C   -3.675500      -2.465000      -1.011800    
 H   -1.923200       3.967500     -0.4993000    
 H   -2.018500       2.658400      -1.677000    
 H  -0.5211000       2.691100      0.9839000    
 H   0.1341000       2.533800     -0.6587000    
 H   -4.104300       2.825900     -0.2953000    
 H   -3.153600       2.550000       1.164200    
 H   -3.622600      0.6391000      -1.165100    
 H   -4.110000      0.4403000      0.5273000    
 H    1.224900      -1.951400      0.7440000    
 H  -0.9072000      -3.099800      0.6359000    
 H    1.630300       1.643100      0.6659000    
 H    5.509000     -9.4999997E-03  0.9565000    
 H    5.787100      0.7679000     -0.6222000    
 H    4.701100     -0.9511000      -1.795200    
 H    5.046300      -1.917700     -0.3492000    
 H   -3.006600      -3.253300      -1.371500    
 H   -3.723700      -1.655600      -1.746200    
 H   -4.677200      -2.886600     -0.8917000    


%chk=000038508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038508

0 1
O -3.513286 -1.646198 -0.472614
O 3.893786 1.071204 0.146065
N 1.613853 0.678939 -0.004632
N 3.212979 -1.156803 -0.168577
C -1.973955 3.169852 -0.313276
C -0.675578 2.390871 -0.004797
C -3.178408 2.509468 0.385614
C -0.824230 0.873589 -0.129506
C -3.390849 1.085407 -0.165985
C -2.103078 0.272135 -0.222802
C 0.344879 0.045172 -0.146087
C -2.195665 -1.143021 -0.371286
C 0.234838 -1.354464 -0.291962
C -1.038909 -1.948380 -0.409759
C 2.858177 0.095963 -0.024145
C 5.166595 0.286803 0.135050
C 4.706816 -1.192710 -0.123169
C -3.667267 -3.094868 -0.592286
H -1.856963 4.223311 0.003995
H -2.151867 3.175750 -1.407202
H -0.339994 2.645403 1.024855
H 0.118146 2.751280 -0.693489
H -4.094776 3.110740 0.235155
H -2.990657 2.467454 1.477534
H -3.827659 1.142132 -1.184748
H -4.134665 0.535056 0.438233
H 1.145035 -1.959073 -0.312800
H -1.105704 -3.034055 -0.524858
H 1.626277 1.687932 0.142484
H 5.652426 0.428328 1.115071
H 5.802523 0.697603 -0.665981
H 5.097391 -1.583731 -1.080512
H 5.039428 -1.872213 0.681890
H -3.241922 -3.620975 0.285154
H -3.189960 -3.477593 -1.515956
H -4.752956 -3.268309 -0.638270


