%chk=000084866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084866

0 1
 O   -4.398300      0.8455000      1.9000000E-03
 O   -4.171700      -1.416200      5.0000002E-04
 O    2.852500      -1.397300      3.0000001E-04
 N    1.887500      0.7495000     -3.9999999E-04
 C   0.5167000      0.4907000     -7.9999998E-04
 C   -2.225000     -2.5599999E-02 -5.0000002E-04
 C   5.4900002E-02 -0.8256000     -8.9999998E-04
 C  -0.3923000       1.548700     -6.9999998E-04
 C   -1.316000      -1.083700     -1.0000000E-03
 C   -1.763100       1.290600     -3.9999999E-04
 C   -3.654200     -0.2945000      3.0000001E-04
 C    2.941100     -0.1751000     -9.9999997E-05
 C    4.269200      0.5040000      3.0000001E-04
 C    5.398700     -0.2109000      1.5000000E-03
 H   0.6951000      -1.696500     -1.1000000E-03
 H  -4.6200000E-02   2.579200     -5.0000002E-04
 H   -1.656900      -2.115800     -1.1000000E-03
 H   -2.435500       2.143900     -9.9999997E-05
 H    2.135000       1.737000     -3.0000001E-04
 H    4.309900       1.587700     -3.0000001E-04
 H   -5.360300      0.6534000      2.9000000E-03
 H    6.359300      0.2936000      1.7000000E-03
 H    5.404800      -1.295200      2.0999999E-03


%chk=000084866-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084866

0 1
O -4.502398 0.891766 0.000343
O -4.263654 -1.418676 0.000137
O 2.886397 -1.422046 0.000152
N 1.917069 0.725522 0.000052
C 0.532199 0.430273 0.000026
C -2.271291 -0.005292 -0.000026
C 0.021529 -0.899342 -0.000037
C -0.370887 1.532756 0.000064
C -1.369124 -1.100833 -0.000058
C -1.757032 1.318316 0.000045
C -3.725943 -0.283654 -0.000064
C 3.008402 -0.160647 0.000038
C 4.333521 0.536352 0.000264
C 5.492776 -0.169716 0.000437
H 0.718006 -1.738812 -0.000073
H 0.020161 2.558208 0.000114
H -1.779880 -2.115747 -0.000112
H -2.451846 2.162085 0.000075
H 2.151296 1.721649 0.000099
H 4.347939 1.635518 0.000282
H -5.462385 0.632819 0.000543
H 6.470363 0.322407 0.000586
H 5.459982 -1.265506 0.000414


