%chk=000080990.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080990

0 1
 O    2.591400     -0.6039000     -1.9999999E-04
 O    2.009600      -2.781100      1.1000000E-03
 O    3.165000       1.575400      9.9999997E-05
 N   -3.836600     -0.2299000       0.000000    
 C  -0.1094000      0.1122000       0.000000    
 C   -1.478200      0.4750000      1.9999999E-04
 C   0.2497000      -1.230000     -1.9999999E-04
 C   0.8674000       1.100100     -1.9999999E-04
 C   -2.453700     -0.5334000       0.000000    
 C   -1.825900       1.834200      3.9999999E-04
 C  -0.7319000      -2.227700     -3.0000001E-04
 C   0.5090000       2.453100       0.000000    
 C   -2.080400      -1.876800     -3.0000001E-04
 C    1.672300      -1.602800     -9.9999997E-05
 C  -0.8362000       2.816200      3.0000001E-04
 C    2.288000      0.7193000     -6.0000003E-04
 H   -2.855700       2.177100      6.0000003E-04
 H  -0.4660000      -3.281400     -5.0000002E-04
 H    1.261700       3.236800     -9.9999997E-05
 H   -2.831100      -2.663200     -5.0000002E-04
 H   -1.113900       3.866400      3.9999999E-04
 H   -4.507100     -0.9881000     -3.9999999E-04
 H   -4.179900      0.7184000       0.000000    


%chk=000080990-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080990

0 1
O 2.642201 -0.610300 -0.000115
O 2.109122 -2.842999 -0.000309
O 3.270945 1.593699 -0.000091
N -3.872995 -0.251918 -0.000087
C -0.121440 0.112266 0.000006
C -1.515445 0.492164 -0.000004
C 0.255951 -1.271559 -0.000048
C 0.882133 1.140022 0.000117
C -2.525625 -0.558912 -0.000070
C -1.841986 1.884265 0.000077
C -0.748872 -2.260372 -0.000120
C 0.523841 2.497443 0.000185
C -2.113410 -1.915774 -0.000133
C 1.668590 -1.676628 -0.000052
C -0.846239 2.870221 0.000173
C 2.324908 0.782602 0.000137
H -2.888626 2.211986 0.000078
H -0.439532 -3.310982 -0.000158
H 1.320549 3.248434 0.000253
H -2.873924 -2.705191 -0.000205
H -1.123709 3.928963 0.000247
H -4.566139 -0.996374 -0.000090
H -4.212199 0.704842 -0.000093


