%chk=000081013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081013

0 1
 O   -1.410000      -2.619300      6.9999998E-04
 O   0.7503000      -2.228900     -6.0000003E-04
 N  -0.4376000      -1.827800       0.000000    
 C    1.784800      4.2100001E-02   0.000000    
 C   0.3587000      0.4907000     -6.0000003E-04
 C    2.541000      0.4969000       1.261000    
 C    2.542300      0.4976000      -1.259900    
 C  -0.6905000     -0.4284000     -5.0000002E-04
 C   8.7499999E-02   1.858900     -9.9999997E-05
 C   -2.011000      2.0800000E-02 -3.9999999E-04
 C   -1.233100       2.308200      3.0000001E-04
 C   -2.282300       1.389100      9.9999997E-05
 H    2.080200     -0.9876000     -3.0000001E-04
 H    2.592300       1.588100       1.339800    
 H    3.571900      0.1239000       1.256700    
 H    2.052300      0.1158000       2.164800    
 H    2.054700      0.1170000      -2.164500    
 H    3.573200      0.1247000      -1.254600    
 H    2.593800       1.588900      -1.338000    
 H   0.8859000       2.595800      9.9999997E-05
 H   -2.856200     -0.6628000     -3.0000001E-04
 H   -1.444600       3.373500      7.9999998E-04
 H   -3.310400       1.739400      3.9999999E-04


%chk=000081013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081013

0 1
O -1.689187 -2.638727 0.001015
O 0.568807 -2.523345 -0.000706
N -0.591282 -1.955095 -0.000837
C 1.909689 0.047352 0.000252
C 0.418495 0.426710 -0.000038
C 2.612364 0.575436 1.281004
C 2.613149 0.576196 -1.279744
C -0.704268 -0.459618 -0.000388
C 0.099445 1.815137 0.000229
C -2.042904 0.017017 -0.000369
C -1.220011 2.302161 0.000176
C -2.305399 1.394822 -0.000111
H 1.991052 -1.046419 -0.000078
H 2.588114 1.679259 1.340189
H 3.671989 0.261340 1.278769
H 2.138326 0.173294 2.194053
H 2.139592 0.174701 -2.193325
H 3.672735 0.261973 -1.277099
H 2.589075 1.680060 -1.338226
H 0.926403 2.532863 0.000508
H -2.851981 -0.716718 -0.000600
H -1.402603 3.382136 0.000373
H -3.338399 1.756063 -0.000146


