%chk=000075252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075252

0 1
 O   -3.010100     -0.4689000     -3.0000001E-04
 N  -0.9443000      -2.319000      3.0000001E-04
 C   0.6741000     -0.4705000       0.000000    
 C   0.9231000      0.9226000      9.9999997E-05
 C  -0.6528000     -0.9309000     -9.9999997E-05
 C   -1.718900     -3.0700000E-02  1.9999999E-04
 C  -0.1620000       1.814300     -9.9999997E-05
 C    1.759200      -1.362100     -1.9999999E-04
 C   -1.473900       1.339400     -9.9999997E-05
 C    2.249800       1.383100       0.000000    
 C    3.070900     -0.8869000       0.000000    
 C    3.315800      0.4831000      9.9999997E-05
 C   -4.030800      0.5264000      1.9999999E-04
 H   7.4999998E-03   2.889300     -1.9999999E-04
 H    1.634800      -2.440300     -1.9999999E-04
 H   -2.247800       2.098900     -1.9999999E-04
 H    2.464600       2.449800       0.000000    
 H    3.901800      -1.586600       0.000000    
 H    4.337300      0.8524000      3.0000001E-04
 H   -1.913300      -2.612000     -6.9999998E-04
 H  -0.2252000      -3.025400     -2.6000000E-03
 H   -4.991600      8.9999998E-04  3.0000001E-04
 H   -4.004100       1.134500     -0.9105000    
 H   -4.003600       1.134200      0.9111000    


%chk=000075252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075252

0 1
O -3.011392 -0.508591 -0.000406
N -1.034213 -2.259154 -0.000247
C 0.696683 -0.467912 -0.000095
C 0.976562 0.959020 -0.000061
C -0.675874 -0.915704 -0.000262
C -1.712857 0.051092 -0.000172
C -0.105035 1.893446 -0.000027
C 1.803232 -1.382353 0.000026
C -1.430829 1.442919 -0.000049
C 2.344024 1.394919 -0.000048
C 3.123079 -0.924002 0.000054
C 3.398576 0.480691 -0.000020
C -4.142801 0.410597 0.000213
H 0.112338 2.967026 0.000020
H 1.629300 -2.465340 0.000297
H -2.251263 2.168085 -0.000041
H 2.547518 2.472904 -0.000044
H 3.951301 -1.641553 0.000184
H 4.436197 0.832648 0.000012
H -2.024233 -2.490530 -0.000810
H -0.343219 -2.999890 -0.002226
H -5.040627 -0.226080 0.000324
H -4.143279 1.051935 -0.903548
H -4.142690 1.051430 0.904328


