%chk=000076959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076959

0 1
 O    3.066500     -0.4071000      1.4000000E-03
 O   -3.257100     -0.9038000      1.1500000E-02
 N   -3.050200       1.380000     -1.5000000E-03
 C   -1.067600     -3.5999998E-02 -3.1000001E-03
 C    1.711000     -0.2853000     -1.3000000E-03
 C  -0.2651000       1.104800     -1.1000000E-03
 C  -0.4809000      -1.301500     -4.1999999E-03
 C    1.124200      0.9801000     -3.0000001E-04
 C   0.9085000      -1.426100     -3.1999999E-03
 C   -2.516200      9.4700001E-02 -3.3000000E-03
 C    3.827000      0.8002000      5.2999998E-03
 H  -0.6521000       2.116700      5.0000002E-04
 H   -1.084700      -2.205200     -5.7999999E-03
 H    1.688700       1.906500      1.5000000E-03
 H    1.360100      -2.414400     -3.8000001E-03
 H    3.651100       1.383700      0.9154000    
 H    3.655500       1.386800     -0.9037000    
 H    4.884400      0.5160000      7.3000002E-03
 H   -2.523200       2.243500     -8.8000000E-03
 H   -4.058600       1.498100      5.4000001E-03


%chk=000076959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076959

0 1
O 3.106100 -0.440331 -0.000712
O -3.300637 -0.992490 0.008423
N -3.229261 1.316225 -0.005734
C -1.104239 0.043671 0.001285
C 1.727507 -0.204500 0.000245
C -0.275722 1.193091 0.004482
C -0.484032 -1.236547 -0.001860
C 1.131142 1.082541 0.003992
C 0.911345 -1.365922 -0.002549
C -2.608153 0.074391 0.001731
C 3.999737 0.721271 0.002476
H -0.703379 2.203200 0.008860
H -1.135256 -2.116425 -0.003567
H 1.743435 1.988856 0.006841
H 1.395813 -2.346711 -0.005133
H 3.852228 1.339225 0.909369
H 3.851999 1.344372 -0.900856
H 5.015652 0.300908 0.001154
H -2.724916 2.198682 -0.015313
H -4.248062 1.328191 -0.004933


