%chk=000079201.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079201

0 1
 O   0.9646000       2.849500     -1.1000000E-03
 O   0.5176000      -2.936400      6.0000003E-04
 O    2.410400       1.095600      1.5000000E-03
 O    2.192100      -1.399400     -1.9999999E-04
 N   -1.226500       1.175700      1.9999999E-04
 N   -1.411600      -1.037400     -6.9999998E-04
 C   5.2000001E-02  0.6933000     -6.0000003E-04
 C   -2.070400      0.1001000      3.0000001E-04
 C  -8.7899998E-02 -0.6747000     -6.9999998E-04
 C   -3.534900      0.2735000      7.9999998E-04
 C    1.226900       1.502800      5.0000002E-04
 C   0.9677000      -1.642600     -5.0000002E-04
 H   -1.498600       2.150000      8.9999998E-04
 H   -3.860000      0.8240000      0.8890000    
 H   -3.860700      0.8234000     -0.8877000    
 H   -4.039300     -0.6979000      1.3000000E-03
 H    1.790700       3.378600     -7.9999998E-04
 H    1.259800      -3.578000      1.1000000E-03


%chk=000079201-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079201

0 1
O 0.789923 2.924786 -0.000444
O 0.439140 -3.080339 0.001167
O 2.508354 1.339902 0.000835
O 2.240177 -1.612270 -0.001633
N -1.156732 1.184938 0.000377
N -1.405961 -1.049994 0.000275
C 0.142507 0.664825 0.000143
C -2.062259 0.135063 0.000355
C -0.039454 -0.742931 -0.000026
C -3.548055 0.310095 0.000501
C 1.288144 1.585124 0.000365
C 1.000988 -1.796547 -0.000740
H -1.346277 2.189201 0.000466
H -3.896681 0.860135 0.893840
H -3.896994 0.858875 -0.893494
H -4.016271 -0.685420 0.001262
H 1.561628 3.550814 -0.000388
H 1.189724 -3.736155 0.001040


