%chk=000065960.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065960

0 1
 O  -0.1355000      0.5811000      -1.690200    
 O   0.3800000      -2.442100      0.3784000    
 O    1.939500      -1.866700      -1.181500    
 O   -2.585200     -0.9301000      0.5590000    
 O   -5.190300      -1.108200     -0.1292000    
 N   -1.088200       1.298400      0.3107000    
 N   -4.460600      6.8200000E-02 -0.3472000    
 C    1.342900      0.8715000      0.1022000    
 C    1.616500     -0.4795000      0.7779000    
 C    2.398200       1.243100     -0.9419000    
 C    3.050200     -0.5637000       1.312700    
 C    3.806000       1.181700     -0.3574000    
 C    4.098900     -0.1775000      0.2690000    
 C  -2.6600000E-02  0.9025000     -0.5098000    
 C    1.356800      -1.651100     -0.1292000    
 C   -2.463300       1.368000     -0.1751000    
 C  -0.8948000       1.668500       1.706300    
 C   -3.144500      3.5700001E-02  4.5200001E-02
 H    1.423600       1.662000      0.8575000    
 H   0.9489000     -0.5976000       1.639900    
 H    2.208100       2.256500      -1.318300    
 H    2.349600      0.5842000      -1.817100    
 H    3.264800      -1.574600       1.680400    
 H    3.146300      0.1114000       2.172900    
 H    3.920200       1.965100      0.4022000    
 H    4.541200       1.392100      -1.142400    
 H    4.162000     -0.9405000     -0.5142000    
 H    5.085600     -0.1489000      0.7462000    
 H   -2.453400       1.573600      -1.251100    
 H   -3.001600       2.172400      0.3367000    
 H  -0.7301000       2.749400       1.749500    
 H  -6.3199997E-02   1.160900       2.189600    
 H   -1.796400       1.425700       2.278300    
 H   0.1941000      -3.211700     -0.2007000    
 H   -4.928400      0.8264000     -0.8309000    
 H   -5.743900      -1.120200     -0.9283000    


%chk=000065960-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065960

0 1
O -0.501474 0.981486 -1.547601
O -0.585133 -1.614947 0.433200
O 1.285240 -2.192422 -0.828763
O -3.885497 -0.217972 0.901760
O -2.989065 -1.863020 -1.021166
N -1.172084 1.661914 0.554651
N -2.790018 -0.426296 -1.116955
C 1.253479 1.018569 0.157093
C 1.405366 -0.380345 0.888490
C 2.233993 1.153818 -1.035474
C 2.892642 -0.666590 1.229836
C 3.694734 0.909605 -0.598516
C 3.855874 -0.489622 0.034640
C -0.190680 1.229923 -0.325664
C 0.755687 -1.489596 0.058590
C -2.565495 1.719112 0.032532
C -1.027208 1.777967 2.018186
C -3.157594 0.302687 -0.011209
H 1.521203 1.786593 0.911604
H 0.825061 -0.338511 1.828285
H 2.123539 2.162280 -1.476713
H 1.945810 0.434431 -1.822047
H 2.977797 -1.689407 1.643017
H 3.190514 0.031540 2.039823
H 4.006327 1.688579 0.129909
H 4.361764 1.008967 -1.475619
H 3.643076 -1.265208 -0.723108
H 4.896959 -0.638275 0.379942
H -2.550585 2.173460 -0.971584
H -3.176636 2.330536 0.714255
H -1.515084 2.705480 2.367275
H 0.033296 1.820176 2.303291
H -1.502131 0.916465 2.524063
H -1.134180 -2.186835 -0.183392
H -1.977967 -0.150748 -1.702179
H -3.654131 -1.917792 -0.260353


