%chk=000049696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049696

0 1
 O  -0.2756000      0.2445000     -0.1879000    
 O    4.438200      0.7675000     -0.5584000    
 O   9.7499996E-02  -3.770400      0.3676000    
 N    1.882100       2.706100      0.6956000    
 C   0.9635000     -0.3370000     -0.1810000    
 C    2.062500      0.5014000     -0.3707000    
 C    1.152100      -1.702700      3.7000000E-03
 C   -1.357300      -1.894200      0.1931000    
 C   -1.386800     -0.5608000     -5.9000002E-03
 C    1.868700       1.971100     -0.5685000    
 C  -2.4000000E-02  -2.562900      0.2033000    
 C    3.350700     -3.3100002E-02 -0.3747000    
 C    2.441200      -2.242500     -3.0000001E-04
 C    3.539500      -1.403000     -0.1900000    
 C   -2.637500      0.2101000     -4.8000000E-02
 C   -2.538000      -2.793300      0.4216000    
 C   -3.160000      0.7554000       1.125000    
 C   -3.302800      0.3963000      -1.260000    
 C    1.701900       4.131000      0.4653000    
 C   -4.347200       1.486800       1.085900    
 C   -4.490000       1.127600      -1.299000    
 C   -5.012300       1.673200     -0.1261000    
 C    5.033700       1.328900      0.6094000    
 H    2.650900       2.358100      -1.234600    
 H   0.9298000       2.156700      -1.106600    
 H    2.609000      -3.306200      0.1421000    
 H    4.541400      -1.824300     -0.1930000    
 H   -2.449900      -3.294900       1.391300    
 H   -2.587500      -3.558400     -0.3606000    
 H   -3.493300      -2.261500      0.4169000    
 H    1.125900       2.368800       1.291400    
 H   -2.652900      0.6193000       2.077100    
 H   -2.907900     -2.2200000E-02  -2.182600    
 H    1.719200       4.659700       1.423400    
 H   0.7424000       4.343200     -1.7700000E-02
 H    2.510900       4.539400     -0.1491000    
 H   -4.753800       1.911400       1.999100    
 H   -5.007800       1.272600      -2.242600    
 H   -5.936600       2.242700     -0.1565000    
 H    5.855700      0.6844000      0.9352000    
 H    4.319000       1.444100       1.430400    
 H    5.438500       2.311400      0.3519000    


%chk=000049696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049696

0 1
O -0.253349 0.121769 -0.108744
O 4.550475 0.584322 -0.647512
O 0.093915 -3.957482 0.629305
N 1.783022 2.728250 0.443549
C 1.022848 -0.470431 -0.114243
C 2.108120 0.400647 -0.389764
C 1.176308 -1.852589 0.152088
C -1.327340 -2.023100 0.375117
C -1.405042 -0.658619 0.147575
C 1.868752 1.852798 -0.758432
C -0.008045 -2.702201 0.407328
C 3.403988 -0.177422 -0.356962
C 2.489524 -2.392955 0.137753
C 3.592385 -1.566678 -0.109971
C -2.610000 0.204308 0.106948
C -2.533844 -2.917606 0.558113
C -3.711896 -0.014487 0.978590
C -2.660647 1.303643 -0.796192
C 1.511936 4.143330 0.113404
C -4.841010 0.829994 0.932468
C -3.792778 2.142091 -0.843218
C -4.890339 1.907401 0.018353
C 4.920344 1.610944 0.363984
H 2.714795 2.205814 -1.377142
H 0.947100 1.919281 -1.383360
H 2.599484 -3.464273 0.332432
H 4.613805 -1.957571 -0.122571
H -2.783740 -3.052373 1.627954
H -2.281265 -3.920978 0.175593
H -3.425797 -2.533087 0.037565
H 1.089929 2.354480 1.107420
H -3.674224 -0.822922 1.713824
H -1.810790 1.486946 -1.460751
H 1.409188 4.727707 1.044257
H 0.592343 4.298916 -0.501358
H 2.365558 4.559897 -0.453550
H -5.677829 0.651685 1.616422
H -3.821126 2.976926 -1.552005
H -5.769563 2.559927 -0.018057
H 5.351035 1.109870 1.252342
H 4.039782 2.214478 0.658851
H 5.687086 2.233651 -0.121908


