%chk=000085814.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085814

0 1
 O   -3.970500       1.835100      2.5500000E-02
 O    4.468400      0.7621000     -8.1699997E-02
 N   -1.819000     -2.5699999E-02  0.1268000    
 N   -1.223000      -3.382700      0.4952000    
 C   -1.640700       1.326500     -0.4202000    
 C   -3.208000     -0.4665000     -6.3299999E-02
 C  -0.8871000     -0.9640000     -0.4949000    
 C   -2.631500       2.284600      0.2350000    
 C   -4.162200      0.5341000      0.5825000    
 C   0.5528000     -0.4997000     -0.3838000    
 C    1.261500     -0.2271000      -1.538400    
 C    1.118900     -0.3615000      0.8696000    
 C   -1.074600      -2.316600      6.0899999E-02
 C    2.585500      0.1996000      -1.436200    
 C    2.443000      6.5300003E-02  0.9720000    
 C    3.176300      0.3459000     -0.1810000    
 C    5.010300      0.8904000       1.232000    
 H   -1.804100       1.324500      -1.506100    
 H  -0.6412000       1.727700     -0.2256000    
 H   -3.401100      -1.438600      0.4022000    
 H   -3.441000     -0.5478000      -1.133400    
 H   -1.133100      -1.037900      -1.565300    
 H   -2.443800       2.388300       1.310800    
 H   -2.541400       3.279000     -0.2141000    
 H   -5.198700      0.2398000      0.3887000    
 H   -4.027700      0.5781000       1.670200    
 H   0.8136000     -0.3356000      -2.521600    
 H   0.5592000     -0.5743000       1.776000    
 H    3.151700      0.4169000      -2.337800    
 H    2.839400      0.1580000       1.977300    
 H    6.045200       1.230600       1.122800    
 H    5.043700     -7.4400000E-02   1.749500    
 H    4.481900       1.654500       1.812200    


%chk=000085814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085814

0 1
O -4.111544 1.861525 0.195958
O 4.586944 0.676046 -0.035629
N -1.881077 0.001622 0.033549
N -1.202564 -3.419538 0.303993
C -1.779904 1.381426 -0.520365
C -3.293253 -0.473555 -0.040080
C -0.918604 -0.927228 -0.638073
C -2.714098 2.318844 0.260273
C -4.202286 0.494214 0.733641
C 0.538341 -0.485467 -0.450935
C 1.390108 -0.315601 -1.569789
C 1.054409 -0.259666 0.845459
C -1.093857 -2.304128 -0.104716
C 2.731787 0.072759 -1.400621
C 2.396552 0.132615 1.033798
C 3.240019 0.296235 -0.096122
C 5.173024 0.899896 1.289659
H -2.057837 1.402926 -1.604249
H -0.738528 1.735608 -0.425877
H -3.363220 -1.479746 0.411373
H -3.644191 -0.540378 -1.100068
H -1.122121 -0.991889 -1.740218
H -2.384129 2.370277 1.320262
H -2.712805 3.330124 -0.178418
H -5.260871 0.204687 0.631546
H -3.916458 0.492532 1.807438
H 1.004265 -0.489697 -2.581590
H 0.393568 -0.384370 1.710187
H 3.401441 0.207070 -2.255071
H 2.771023 0.299901 2.047978
H 6.221466 1.169339 1.096247
H 5.130985 -0.017771 1.907437
H 4.666115 1.729990 1.818824


