%chk=000158883.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158883

0 1
 O   -1.044100      -2.860000     -1.9999999E-04
 O   -3.369100      -2.238100     -3.9999999E-04
 O   -3.061500       3.255200     -1.1000000E-03
 O    4.286800       1.522000      7.9999998E-04
 N  -0.7112000       3.002800     -1.9999999E-04
 C  -0.6519000      0.7545000      6.9999998E-04
 C  -0.1558000     -0.5497000      6.9999998E-04
 C   0.1184000       1.879800      3.0000001E-04
 C   -1.985700       1.114000      3.9999999E-04
 C    1.282300     -0.6728000      3.9999999E-04
 C   -1.197500      -1.504200      6.0000003E-04
 C    2.086700      0.5196000     -9.9999997E-05
 C   -2.548400      -1.148700      3.0000001E-04
 C    1.491500       1.798500       0.000000    
 C   -2.987000      0.1671000      1.9999999E-04
 C   -2.043400       2.591400     -1.9999999E-04
 C    1.954300      -1.913200      1.9999999E-04
 C    3.485600      0.4140000     -6.0000003E-04
 C   -2.410800      -3.311500     -5.0000002E-04
 C    3.348800      -1.990200     -3.9999999E-04
 C    4.112100     -0.8303000     -1.0000000E-03
 H    2.082600       2.709600     -3.9999999E-04
 H   -4.037000      0.4272000     -1.9999999E-04
 H  -0.3794000       3.959600     -7.9999998E-04
 H    1.404100      -2.849700      6.0000003E-04
 H   -2.576000      -3.929500      0.8895000    
 H   -2.575600      -3.929000     -0.8908000    
 H    3.836300      -2.961000     -3.9999999E-04
 H    5.195900     -0.9107000     -1.2000001E-03
 H    5.219500       1.246800      3.9999999E-04


%chk=000158883-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158883

0 1
O -1.026584 -2.898072 -0.000259
O -3.352021 -2.317248 -0.000178
O -3.089346 3.437816 -0.000044
O 4.284707 1.563619 0.000056
N -0.726362 3.079558 0.000059
C -0.667344 0.801563 -0.000238
C -0.147749 -0.519295 -0.000240
C 0.158105 1.980232 -0.000112
C -2.035280 1.164552 -0.000263
C 1.303652 -0.679261 -0.000250
C -1.176999 -1.491977 -0.000222
C 2.110036 0.527174 -0.000111
C -2.551281 -1.145280 -0.000140
C 1.535008 1.863302 -0.000008
C -3.039026 0.173956 -0.000115
C -2.096535 2.661276 -0.000631
C 1.932440 -1.958474 -0.000286
C 3.534324 0.371934 -0.000028
C -2.408490 -3.459534 0.000009
C 3.331709 -2.061016 -0.000259
C 4.141029 -0.894831 -0.000112
H 2.215270 2.718179 0.000139
H -4.106540 0.404485 -0.000140
H -0.461060 4.063228 0.000463
H 1.311545 -2.857663 -0.000381
H -2.550550 -4.050872 0.920664
H -2.550730 -4.051317 -0.920325
H 3.809590 -3.046045 -0.000322
H 5.235007 -0.984561 -0.000070
H 5.253973 1.368073 -0.000057


