%chk=000157843.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157843

0 1
 O    4.471300       1.849300      1.7000000E-03
 N    2.195400       2.102600     -1.9999999E-04
 C   0.7126000      0.1713000     -5.0000002E-04
 C    1.901300     -0.7061000     -1.9999999E-04
 C   0.8976000       1.564800     -6.9999998E-04
 C    3.189300     -0.1323000      3.9999999E-04
 C  -0.6129000     -0.2989000     -3.9999999E-04
 C   -1.699300      0.5831000     -6.9999998E-04
 C  -0.1871000       2.451300     -1.1000000E-03
 C    3.351100       1.345100      6.0000003E-04
 C   -1.486700       1.957000     -1.0000000E-03
 C    1.825100      -2.111500     -6.9999998E-04
 C   -3.050100      6.3299999E-02 -3.0000001E-04
 C    4.344100     -0.9298000      5.0000002E-04
 C    2.975700      -2.906500     -3.9999999E-04
 C    4.233500      -2.316300      9.9999997E-05
 C   -3.700400     -0.1861000       1.208100    
 C   -3.701200     -0.1874000      -1.208000    
 C   -5.002400     -0.6869000       1.208800    
 C   -5.003200     -0.6881000      -1.207200    
 C   -5.653700     -0.9377000      1.3000000E-03
 H  -0.8218000      -1.366100     -9.9999997E-05
 H    2.288100       3.114600     -1.9999999E-04
 H  -2.6799999E-02   3.526400     -1.2000001E-03
 H   -2.320200       2.655000     -1.2000001E-03
 H   0.8704000      -2.629800     -1.2000001E-03
 H    5.336800     -0.4877000      1.0000000E-03
 H    2.884300      -3.989000     -7.9999998E-04
 H    5.126100      -2.934700      1.9999999E-04
 H   -3.207100      3.8999999E-03   2.158400    
 H   -3.208500      1.5000000E-03  -2.158800    
 H   -5.509000     -0.8814000       2.149500    
 H   -5.510600     -0.8835000      -2.147400    
 H   -6.667300      -1.327500      1.8000000E-03


%chk=000157843-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157843

0 1
O 4.577970 1.928379 -0.000505
N 2.264413 2.110730 -0.000501
C 0.749956 0.186725 -0.000139
C 1.929825 -0.696283 -0.000112
C 0.956029 1.602177 -0.000336
C 3.241565 -0.119139 -0.000227
C -0.590124 -0.287322 0.000025
C -1.697744 0.585777 -0.000004
C -0.148147 2.492519 -0.000368
C 3.444923 1.352747 -0.000416
C -1.459206 1.989676 -0.000203
C 1.830078 -2.117579 0.000030
C -3.100720 0.047486 0.000175
C 4.397037 -0.941327 -0.000185
C 2.980203 -2.925421 0.000084
C 4.274081 -2.340276 -0.000022
C -3.775645 -0.210597 1.222211
C -3.775579 -0.211585 -1.221686
C -5.095259 -0.717279 1.222711
C -5.095195 -0.718262 -1.221842
C -5.759323 -0.972614 0.000518
H -0.783761 -1.364558 0.000203
H 2.402231 3.126249 -0.000633
H 0.027705 3.575021 -0.000529
H -2.309952 2.679475 -0.000244
H 0.846909 -2.597735 0.000099
H 5.372973 -0.444801 -0.000273
H 2.874395 -4.016037 0.000200
H 5.166441 -2.974857 0.000022
H -3.261930 -0.013572 2.170286
H -3.261821 -0.015314 -2.169894
H -5.602750 -0.911914 2.174397
H -5.602644 -0.913667 -2.173391
H -6.782536 -1.364923 0.000648


