%chk=000039619.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039619

0 1
 O    3.061300      -1.769800     -6.1299998E-02
 O    3.580300      0.5345000     -0.5241000    
 O  -0.4200000       3.825800      0.2369000    
 O   -3.708400      -3.498200     -1.4100000E-02
 O   -2.935100      -1.890100      -1.420100    
 N   -1.208600       1.684400      0.1780000    
 C  -0.3313000     -0.4010000      0.3455000    
 C  -2.0700000E-02  0.9464000      7.4100003E-02
 C   -1.718600     -0.4653000      0.6136000    
 C    1.963000     -0.9666000      8.2000000E-03
 C    2.256700      0.3453000     -0.2547000    
 C   0.6827000      -1.386200      0.3143000    
 C    1.298700       1.344300     -0.2334000    
 C   -2.224600      0.8051000      0.5057000    
 C    4.079000     -0.8189000     -0.4443000    
 C   -2.496100      -1.675500      0.9500000    
 C   -1.350300       3.073300     -1.5200000E-02
 C    5.215100     -0.8717000      0.5655000    
 C   -3.042800      -2.348700     -0.2898000    
 C   -2.680300       3.532900     -0.5348000    
 H   0.4686000      -2.429500      0.5201000    
 H    1.554600       2.374500     -0.4492000    
 H   -3.236600       1.161100      0.6458000    
 H    4.450500      -1.101900      -1.437200    
 H   -3.343800      -1.413800       1.593900    
 H   -1.871600      -2.397300       1.487700    
 H    5.627000      -1.883100      0.6379000    
 H    6.012000     -0.1725000      0.2941000    
 H    4.858100     -0.5910000       1.562700    
 H   -3.422600       3.522400      0.2674000    
 H   -3.008500       2.905500      -1.368200    
 H   -2.583100       4.558100     -0.9052000    
 H   -4.074200      -3.912700     -0.8245000    


%chk=000039619-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039619

0 1
O 2.965421 -1.823368 0.232425
O 3.572634 0.425381 -0.322819
O -0.316829 3.826677 -0.575248
O -2.032354 -3.538891 -0.227645
O -3.831391 -2.398784 -1.158733
N -1.282076 1.779650 -0.015338
C -0.477565 -0.351614 0.339257
C -0.093198 0.989192 0.001157
C -1.923315 -0.355438 0.537198
C 1.807523 -1.006828 0.172650
C 2.169737 0.328236 -0.157927
C 0.493977 -1.390650 0.429781
C 1.248300 1.371930 -0.256265
C -2.376793 0.932095 0.313929
C 4.072314 -0.986884 -0.329983
C -2.778274 -1.543146 0.918227
C -1.355860 3.166300 -0.304441
C 5.323173 -1.115939 0.511428
C -2.974179 -2.496505 -0.257466
C -2.742833 3.791866 -0.270190
H 0.222430 -2.420967 0.669114
H 1.526726 2.394673 -0.505440
H -3.391856 1.316323 0.357629
H 4.208239 -1.283814 -1.389695
H -3.779421 -1.201910 1.229677
H -2.316576 -2.098678 1.752559
H 5.668142 -2.164033 0.510375
H 6.121565 -0.478984 0.093979
H 5.117607 -0.804146 1.548008
H -3.202910 3.703810 0.730787
H -3.420287 3.315646 -1.001786
H -2.637832 4.856912 -0.521189
H -2.153838 -4.118313 -1.028716


