%chk=000083298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083298

0 1
 O    1.456000       1.949100       1.200400    
 O    1.589500       2.042200      -1.066900    
 O    1.789800      -2.505300      8.6000003E-03
 O    2.544100     -0.4440000     -2.5599999E-02
 N    1.598700      -1.266600     -7.8999996E-03
 N   -3.708900      0.5889000     -1.0600000E-02
 C  -3.8999999E-03  0.5913000     -2.7500000E-02
 C   0.2624000     -0.7777000     -6.8999999E-03
 C   -1.322800       1.045400     -2.8500000E-02
 C   -2.375500      0.1304000     -9.1000004E-03
 C  -0.7902000      -1.692700      1.2200000E-02
 C   -2.109100      -1.238600      1.1200000E-02
 C    1.069900       1.577500     -4.9500000E-02
 H   -1.530600       2.113300     -4.4900000E-02
 H  -0.6250000      -2.767000      2.8000001E-02
 H   -2.921100      -1.961300      2.6200000E-02
 H   -4.472400     -7.4100003E-02  4.4000000E-03
 H   -3.903100       1.581300     -2.4400000E-02
 H    2.178500       2.612300       1.177300    


%chk=000083298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083298

0 1
O 1.766202 1.641174 1.211011
O 1.189731 2.595154 -0.833048
O 1.846457 -2.499592 0.310613
O 2.542285 -0.467497 -0.470435
N 1.624093 -1.269611 -0.028108
N -3.743380 0.569676 -0.117839
C -0.019450 0.628217 -0.019020
C 0.251389 -0.764720 0.052966
C -1.353206 1.061051 -0.083115
C -2.433616 0.127426 -0.048294
C -0.806889 -1.701548 0.109655
C -2.135988 -1.265949 0.064885
C 1.046004 1.691233 0.016895
H -1.559406 2.134814 -0.150064
H -0.558681 -2.764642 0.168504
H -2.951666 -1.996656 0.098611
H -4.519168 -0.086830 -0.089915
H -3.957999 1.559070 -0.212120
H 2.499586 2.313629 1.185318


