%chk=000137982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137982

0 1
 O    5.242200      0.2280000      4.1999999E-03
 O  -0.7979000      -1.306900      -1.115300    
 N   -1.184400     -0.3870000     -0.3238000    
 C    1.099800      0.3821000      0.2202000    
 C   -2.601800     -0.1797000     -0.1243000    
 C  -0.3515000      0.4357000      0.2954000    
 C    1.846600       1.558000      0.2952000    
 C    1.745400     -0.8457000      7.2899997E-02
 C    3.884000      0.2784000      7.5199999E-02
 C    3.238600       1.506100      0.2225000    
 C    3.137300     -0.8975000      5.0000002E-04
 C   -3.288400      0.6593000     -0.9836000    
 C   -3.236400     -0.8247000      0.9222000    
 C   -4.655100      0.8599000     -0.7899000    
 C   -4.603100     -0.6242000       1.115700    
 C   -5.312600      0.2181000      0.2596000    
 C    5.837300      -1.060000     -0.1466000    
 H  -0.8077000       1.245800      0.8917000    
 H    1.355500       2.521100      0.4088000    
 H    1.206200      -1.787600      5.9700001E-02
 H    3.814900       2.425500      0.2809000    
 H    3.575000      -1.884600     -0.1030000    
 H   -2.781900       1.161800      -1.802600    
 H   -2.689100      -1.481900       1.591900    
 H   -5.207500       1.515900      -1.456400    
 H   -5.114900      -1.124000       1.933000    
 H   -6.376800      0.3743000      0.4103000    
 H    5.542600      -1.531700      -1.090100    
 H    5.634900      -1.700300      0.7187000    
 H    6.921400     -0.9123000     -0.1882000    


%chk=000137982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137982

0 1
O 5.344156 0.056551 0.449876
O -0.933321 -1.152989 -1.328523
N -1.251161 -0.291984 -0.349215
C 1.098310 0.217006 0.330809
C -2.691565 -0.064767 -0.141839
C -0.338182 0.366461 0.398829
C 1.884820 1.026204 1.218211
C 1.790057 -0.675361 -0.547452
C 3.947818 0.054513 0.355614
C 3.280835 0.950475 1.234368
C 3.196546 -0.756402 -0.532554
C -3.545016 -0.327017 -1.236281
C -3.218596 0.344571 1.106330
C -4.934966 -0.136394 -1.090858
C -4.612111 0.527914 1.240320
C -5.474196 0.295498 0.143690
C 6.088788 -0.841290 -0.439068
H -0.746158 1.098272 1.099746
H 1.379644 1.721000 1.900916
H 1.198871 -1.287559 -1.231069
H 3.881000 1.566922 1.910114
H 3.693574 -1.450534 -1.217241
H -3.098052 -0.681518 -2.168318
H -2.570036 0.485637 1.976533
H -5.598222 -0.329218 -1.940906
H -5.024185 0.836346 2.207222
H -6.554683 0.436207 0.254816
H 5.898795 -0.600308 -1.502597
H 5.831895 -1.900500 -0.245539
H 7.147943 -0.665838 -0.201133


