%chk=000035427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035427

0 1
 O    4.426200     -0.3781000      0.2148000    
 O    2.569000      -2.432200      0.1681000    
 O    3.592100       2.233800     -0.1767000    
 O   -6.145300     -0.6167000       2.016200    
 O   -3.699100       1.402800      -1.145700    
 N   -4.318500     -0.6277000     -0.1987000    
 C   0.4285000      0.4504000     -0.4355000    
 C    3.107800     -0.1049000      9.9999997E-05
 C    2.175300      -1.141900     -2.2500001E-02
 C    2.691500       1.211700     -0.1966000    
 C   0.8263000     -0.8625000     -0.2419000    
 C    1.342600       1.491300     -0.4159000    
 C  -0.9964000      0.7457000     -0.6675000    
 C   -5.749300     -0.4816000     -0.3467000    
 C   -2.006500     -7.3899999E-02 -0.3406000    
 C   -3.413800      0.3346000     -0.6144000    
 C   -6.369900      0.1880000      0.8658000    
 C    4.763200      -1.012800       1.446100    
 C    2.932400      -3.176900     -0.9926000    
 C    3.844000       2.851000       1.084100    
 H   0.1339000      -1.698200     -0.2734000    
 H    1.026300       2.520500     -0.5676000    
 H   -1.201100       1.708800      -1.129600    
 H   -6.152900      -1.491700     -0.4723000    
 H   -5.962200      9.8499998E-02  -1.250400    
 H   -1.856600      -1.030400      0.1465000    
 H   -3.982600      -1.481900      0.2368000    
 H   -7.450200      0.2964000      0.7324000    
 H   -5.941300       1.178900       1.047000    
 H    4.851500      -2.092800       1.299600    
 H    4.038800     -0.7930000       2.238200    
 H    5.739400     -0.6342000       1.763500    
 H    3.236100      -4.178300     -0.6756000    
 H    2.079000      -3.268300      -1.671900    
 H    3.773900      -2.703000      -1.507700    
 H    4.587100       3.639400      0.9369000    
 H    2.928400       3.302500       1.479300    
 H    4.242600       2.123700       1.798200    
 H   -5.183200     -0.7033000       2.127900    


%chk=000035427-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035427

0 1
O 4.417782 -0.284678 0.644483
O 2.577196 -2.478557 0.273654
O 3.351552 2.412344 0.559482
O -6.757890 -1.087938 1.572882
O -3.932590 1.593565 -0.361604
N -4.587363 -0.636210 -0.463497
C 0.246500 0.426373 0.061514
C 3.043724 -0.054024 0.410199
C 2.130847 -1.136692 0.222029
C 2.547645 1.279783 0.351891
C 0.755645 -0.903332 0.065309
C 1.163587 1.504112 0.184021
C -1.180918 0.739065 -0.083485
C -6.006927 -0.300512 -0.673561
C -2.220219 -0.140300 -0.203728
C -3.616253 0.358923 -0.345699
C -6.730117 0.050950 0.642673
C 4.705711 -0.931803 1.951723
C 3.526658 -2.862075 -0.798083
C 4.578975 2.538715 -0.258637
H 0.101658 -1.771749 -0.055799
H 0.811616 2.540904 0.168746
H -1.456213 1.804095 -0.096064
H -6.500676 -1.170078 -1.142282
H -6.068301 0.565651 -1.358918
H -2.057724 -1.226889 -0.199972
H -4.299234 -1.614618 -0.503905
H -7.788870 0.277926 0.434563
H -6.254364 0.939030 1.102391
H 4.188082 -1.904797 2.021124
H 4.388034 -0.267946 2.776172
H 5.797167 -1.070431 1.974626
H 3.788192 -3.911227 -0.593044
H 3.034414 -2.782409 -1.785859
H 4.428935 -2.225506 -0.773335
H 5.035466 3.486921 0.063073
H 5.262334 1.692897 -0.079018
H 4.314620 2.594480 -1.332052
H -5.831679 -1.250263 1.885684


