%chk=000098046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098046

0 1
 O   -3.750600      0.5098000      0.2228000    
 O    5.117900      0.6066000      1.8200001E-02
 O    2.646600       1.536800     -0.1497000    
 N    1.689300     -0.5689000      0.2532000    
 C   0.3009000     -0.2939000      0.2460000    
 C    4.090500     -0.3641000      0.1405000    
 C    2.733000      0.3293000      5.5399999E-02
 C   -2.415700      0.2447000      0.2291000    
 C  -0.5952000      -1.325100      0.4722000    
 C  -0.1314000       1.000700      1.1600000E-02
 C   -1.963500      -1.053900      0.4635000    
 C   -1.499600       1.272100      3.0000000E-03
 C    4.255300      -1.411300     -0.9508000    
 C   -4.619700     -0.5427000     -0.1931000    
 C   -5.858000      5.9900001E-02 -0.8220000    
 H    4.187800     -0.8364000       1.124600    
 H    1.931400      -1.538300      0.4447000    
 H  -0.2528000      -2.338600      0.6615000    
 H   0.5123000       1.847500     -0.1741000    
 H   -2.641400      -1.876500      0.6714000    
 H   -1.847500       2.285200     -0.1807000    
 H    4.105400     -0.9658000      -1.940900    
 H    3.551500      -2.241400     -0.8429000    
 H    5.272100      -1.818500     -0.9380000    
 H   -4.149200      -1.187200     -0.9462000    
 H   -4.901500      -1.142600      0.6792000    
 H   -6.553300     -0.7206000      -1.143700    
 H   -6.370000      0.7174000     -0.1117000    
 H   -5.590800      0.6744000      -1.688200    
 H    5.054900       1.197600      0.7879000    


%chk=000098046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000098046

0 1
O -3.774359 0.554169 -0.335751
O 5.218640 0.580230 0.523926
O 2.776353 1.482836 0.032050
N 1.737681 -0.617743 0.258752
C 0.351558 -0.299880 0.105794
C 4.211486 -0.459505 0.399711
C 2.829535 0.223080 0.214211
C -2.428175 0.193862 -0.178362
C -0.582359 -1.359568 0.203196
C -0.116158 1.021677 -0.135574
C -1.966257 -1.124378 0.063546
C -1.494274 1.255700 -0.275144
C 4.560860 -1.393434 -0.781960
C -4.789921 -0.513325 -0.240070
C -6.148771 0.151538 -0.442046
H 4.199661 -1.041881 1.345405
H 1.941859 -1.607460 0.420521
H -0.233095 -2.383597 0.390357
H 0.601064 1.840871 -0.208577
H -2.660125 -1.965439 0.145224
H -1.871086 2.266005 -0.461090
H 4.498730 -0.845397 -1.737924
H 3.895040 -2.276655 -0.833400
H 5.597060 -1.748717 -0.654424
H -4.595974 -1.278348 -1.020455
H -4.722912 -0.998103 0.756047
H -6.953973 -0.603098 -0.381933
H -6.326549 0.916425 0.332830
H -6.199599 0.640337 -1.429779
H 4.752759 1.445999 0.327716


