%chk=000017158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017158

1 1
 O   -2.680800      -1.193900     -6.9999998E-04
 O   -2.843400       1.073300      1.9999999E-04
 N    2.041900     -4.6000001E-03  9.9999997E-05
 C  -0.6879000      3.5100002E-02  9.9999997E-05
 C    1.413000       1.178700       0.000000    
 C    1.379100      -1.169100      1.9999999E-04
 C   2.6400000E-02   1.229400     -1.9999999E-04
 C  -8.5000005E-03  -1.179400      5.0000002E-04
 C    3.502000     -2.5800001E-02 -3.9999999E-04
 C   -2.141800      5.6299999E-02  1.9999999E-04
 H    2.025400       2.072300      5.4000001E-03
 H    1.965500      -2.080000      5.7999999E-03
 H  -0.4731000       2.193100      8.9999998E-04
 H  -0.5144000      -2.139300      2.3000001E-03
 H    3.855900     -0.9193000     -0.5221000    
 H    3.881800      0.8584000     -0.5198000    
 H    3.833400     -3.1900000E-02   1.041300    
 H   -3.661500      -1.168400     -1.1000000E-03


%chk=000017158-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017158

1 1
O -2.771778 -1.196032 0.006645
O -2.861246 1.141885 0.009533
N 2.081921 -0.007106 -0.016885
C -0.714835 0.006864 -0.000222
C 1.407364 1.194250 -0.011815
C 1.395010 -1.200491 -0.013029
C 0.008053 1.224468 -0.003325
C -0.006036 -1.218633 -0.004604
C 3.579916 -0.014310 0.012242
C -2.220586 0.072231 0.005718
H 2.015197 2.101216 -0.013689
H 1.993851 -2.113485 -0.015835
H -0.526598 2.178410 -0.001588
H -0.542245 -2.169905 -0.003975
H 3.953761 -0.911157 -0.502787
H 3.961975 0.878838 -0.503220
H 3.926384 -0.015490 1.058796
H -3.767106 -1.166653 0.010740


