%chk=000158928.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158928

0 1
 O   -4.550500     -7.6200001E-02  1.9999999E-04
 O    1.336100       3.163300      7.9999998E-04
 N   0.8656000      0.9308000     -1.9999999E-04
 N    2.992600      -2.039800      9.9999997E-05
 C    1.340600     -0.3571000     -1.9999999E-04
 C   0.2918000      -1.252300     -9.9999997E-05
 C  -0.8990000     -0.4632000     -9.9999997E-05
 C  -0.5203000      0.8927000     -1.9999999E-04
 C    2.668700     -0.7334000     -9.9999997E-05
 C   -2.273100     -0.7863000      9.9999997E-05
 C    1.752100       2.016800     -3.0000001E-04
 C   -1.476800       1.921300     -3.9999999E-04
 C   0.6096000      -2.619700       0.000000    
 C    3.630500      0.3576000      9.9999997E-05
 C   -3.224700      0.2372000     -9.9999997E-05
 C    3.204500       1.635100      1.9999999E-04
 C   -2.830000       1.570400     -3.0000001E-04
 C    1.971300      -2.935600      9.9999997E-05
 C   -4.888900      -1.461700      3.9999999E-04
 H   -2.522300      -1.840900      1.9999999E-04
 H   -1.190000       2.967300     -5.0000002E-04
 H  -0.1495000      -3.393300      9.9999997E-05
 H    4.686900      0.1161000      3.9999999E-04
 H    3.917800       2.452700      3.9999999E-04
 H   -3.579500       2.358400     -3.9999999E-04
 H    2.285000      -3.975800      1.9999999E-04
 H   -4.540300      -1.961900      0.9103000    
 H   -4.540400      -1.962200     -0.9095000    
 H   -5.982000      -1.526800      5.0000002E-04


%chk=000158928-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158928

0 1
O -4.620106 -0.023734 0.000155
O 1.352922 3.250896 0.000120
N 0.908899 0.936411 -0.000168
N 3.120079 -2.047529 0.000116
C 1.392871 -0.370226 -0.000033
C 0.327160 -1.312326 0.000040
C -0.909021 -0.517508 0.000039
C -0.521238 0.866786 -0.000070
C 2.755459 -0.721100 0.000018
C -2.276201 -0.871173 0.000109
C 1.790262 2.061735 -0.000351
C -1.471522 1.905047 -0.000119
C 0.712183 -2.670066 0.000118
C 3.696346 0.387209 0.000098
C -3.233225 0.173564 0.000079
C 3.224014 1.686641 0.000022
C -2.831377 1.541505 -0.000034
C 2.108001 -2.969252 0.000142
C -5.112914 -1.400182 0.000176
H -2.576524 -1.922862 0.000189
H -1.156722 2.950640 -0.000228
H -0.016195 -3.487137 0.000170
H 4.768963 0.166908 0.000267
H 3.907255 2.541406 0.000154
H -3.614598 2.305320 -0.000068
H 2.434437 -4.015101 0.000214
H -4.781971 -1.948155 0.904876
H -4.781959 -1.948185 -0.904498
H -6.209477 -1.316030 0.000167


