%chk=000074418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074418

0 1
 O   -4.539900      -1.491600      2.9000000E-03
 N   -3.678700      0.7031000     -5.0000002E-04
 C   0.4830000      0.1400000       0.000000    
 C    1.887300     -5.0099999E-02   0.000000    
 C  -0.3817000     -0.9793000     -1.9999999E-04
 C  -5.3100001E-02   1.448800      1.9999999E-04
 C    2.752000       1.069200      9.9999997E-05
 C    2.423500      -1.358800     -1.9999999E-04
 C   0.1676000      -2.268400     -3.9999999E-04
 C   0.8191000       2.545600      3.9999999E-04
 C   -1.769200     -0.7746000     -9.9999997E-05
 C   -1.445100       1.620200      3.9999999E-04
 C    2.202700       2.358400      1.9999999E-04
 C    1.551300      -2.455600     -1.9999999E-04
 C   -2.295700      0.5159000      3.0000001E-04
 C    4.139500      0.8646000     -9.9999997E-05
 C    3.815500      -1.530200     -1.9999999E-04
 C    4.666100     -0.4259000     -1.9999999E-04
 C   -4.683600     -0.2732000     -7.9999998E-04
 C   -6.060500      0.3419000     -1.7000000E-03
 H   -2.385400      -1.664000     -6.9999998E-04
 H   -1.866500       2.624400      5.0000002E-04
 H  -0.4767000      -3.145400     -5.0000002E-04
 H   0.4297000       3.561800      6.9999998E-04
 H    2.848300       3.234400      3.0000001E-04
 H    1.940900      -3.471700     -3.0000001E-04
 H    4.824000       1.710300       0.000000    
 H    4.250800      -2.527300     -3.0000001E-04
 H    5.742500     -0.5715000     -3.0000001E-04
 H   -3.985900       1.673600     -1.1000000E-03
 H   -6.181200      0.9805000     -0.8813000    
 H   -6.818500     -0.4458000     -2.9200001E-02
 H   -6.199300      0.9378000      0.9047000    


%chk=000074418-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074418

0 1
O -4.630205 -1.481840 -0.003277
N -3.731110 0.689751 -0.003264
C 0.506213 0.109893 -0.000861
C 1.930627 -0.061648 -0.000020
C -0.368116 -1.036560 -0.001123
C -0.066717 1.433893 -0.001482
C 2.798696 1.091219 0.000288
C 2.498200 -1.388527 0.000534
C 0.227643 -2.357715 -0.000597
C 0.825819 2.575584 -0.001165
C -1.775835 -0.862486 -0.001922
C -1.474526 1.577323 -0.002324
C 2.198936 2.409771 -0.000311
C 1.600768 -2.525297 0.000201
C -2.327241 0.442969 -0.002494
C 4.206346 0.898021 0.001155
C 3.911695 -1.536072 0.001384
C 4.753977 -0.403302 0.001696
C -4.788054 -0.226801 -0.002456
C -6.168729 0.433409 0.001878
H -2.445189 -1.724958 -0.002275
H -1.905868 2.587598 -0.002763
H -0.439441 -3.227343 -0.000848
H 0.389200 3.581520 -0.001611
H 2.862393 3.282911 -0.000073
H 2.035669 -3.531852 0.000586
H 4.867177 1.772953 0.001398
H 4.344222 -2.543504 0.001795
H 5.841501 -0.534986 0.002356
H -3.998103 1.677271 -0.003674
H -6.303363 1.094006 -0.874732
H -6.933389 -0.355729 -0.029274
H -6.320393 1.037628 0.915676


