%chk=000076048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076048

0 1
 O   -3.615900     -6.3000001E-02 -6.0000003E-04
 O   -2.377700       1.749800       0.000000    
 N   5.1800001E-02   1.634300      9.9999997E-05
 N   -2.499100      0.5034000     -3.0000001E-04
 C    1.068000     -0.5509000      3.0000001E-04
 C  -6.2700003E-02  0.2926000      9.9999997E-05
 C    2.336000      4.5600001E-02  3.0000001E-04
 C   -1.322200     -0.3004000      9.9999997E-05
 C   0.9116000      -1.947300      3.9999999E-04
 C    2.457200       1.427800      3.0000001E-04
 C   -1.478000      -1.688800      9.9999997E-05
 C  -0.3600000      -2.513600      3.0000001E-04
 C    3.597200     -0.7597000     -1.4000000E-03
 C    1.293800       2.170200      1.9999999E-04
 H    1.764300      -2.621000      6.0000003E-04
 H    3.421200       1.924300       0.000000    
 H   -2.455000      -2.165400      9.9999997E-05
 H  -0.4766000      -3.593100      3.9999999E-04
 H    3.652300      -1.387100     -0.8972000    
 H    4.489400     -0.1232000     -1.1000000E-03
 H    3.653500      -1.389200      0.8928000    
 H    1.325900       3.254900      9.9999997E-05


%chk=000076048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076048

0 1
O -3.746810 -0.227392 0.000098
O -2.658689 1.763149 0.001823
N 0.074828 1.724553 -0.000199
N -2.656191 0.481461 0.000225
C 1.103243 -0.539785 -0.000280
C -0.057707 0.347030 -0.000133
C 2.424190 0.051156 -0.000411
C -1.363923 -0.281678 -0.000013
C 0.921982 -1.958396 -0.000297
C 2.512124 1.446890 -0.000390
C -1.499813 -1.675644 -0.000069
C -0.356677 -2.516780 -0.000209
C 3.672680 -0.807239 -0.000640
C 1.320587 2.232632 -0.000311
H 1.799212 -2.612938 -0.000388
H 3.487351 1.944351 -0.000470
H -2.509025 -2.094843 0.000004
H -0.489124 -3.603016 -0.000220
H 3.716670 -1.461404 -0.891475
H 4.577046 -0.177223 -0.000350
H 3.716612 -1.462119 0.889663
H 1.386435 3.327433 -0.000357


