%chk=000019161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019161

0 1
 O   -1.587500       1.054400      -1.294500    
 O  -0.9367000      -3.353200     -0.6495000    
 O  -0.6800000      -1.853700      -2.333600    
 N   0.1236000      0.6817000      0.2517000    
 N   0.6242000     -0.2370000       1.161100    
 C   -3.131900      -1.064100     -0.3367000    
 C   -1.594300      -1.088800     -0.2151000    
 C   -3.801600     -0.1427000      0.6888000    
 C   -5.325600     -0.2063000      0.5783000    
 C   -1.011400      0.3167000     -0.4905000    
 C   -1.027900      -2.111100      -1.188100    
 C   -5.996600      0.6774000       1.617500    
 C   0.7456000       1.965700      7.4199997E-02
 C    1.675900      -1.099800      0.8110000    
 C   0.6701000       2.565000      -1.160100    
 C    1.387300       2.536900       1.146900    
 C    1.273300       3.810800      -1.332500    
 C    1.990200       3.782800      0.9745000    
 C    2.250200      -1.935500       1.773200    
 C    2.155100      -1.127600     -0.5018000    
 C    1.933200       4.419800     -0.2652000    
 C    3.295000      -2.791600       1.425500    
 C    3.199900      -1.983900     -0.8494000    
 C    3.769800      -2.815900      0.1143000    
 H   -3.514200      -2.085000     -0.2046000    
 H   -3.427200     -0.7609000      -1.349800    
 H   -1.356300      -1.412400      0.8026000    
 H   -3.474900      0.8934000      0.5481000    
 H   -3.495800     -0.4419000       1.698800    
 H   -5.666800      -1.239400      0.7130000    
 H   -5.639300      0.1115000     -0.4228000    
 H   -5.728400      0.3639000       2.631500    
 H   -5.701400       1.724000       1.491900    
 H   -7.085100      0.6175000       1.520200    
 H   0.2894000     -0.1851000       2.114600    
 H   0.2402000       2.103400      -2.040700    
 H    1.434800       2.063400       2.122400    
 H  -0.5636000      -4.000800      -1.284800    
 H    1.245000       4.299300      -2.302200    
 H    2.503000       4.257900       1.805700    
 H    1.889100      -1.926300       2.798700    
 H    1.742100     -0.5009000      -1.286400    
 H    2.405900       5.388200     -0.4004000    
 H    3.738800      -3.439500       2.175700    
 H    3.569300      -2.004000      -1.870600    
 H    4.583100      -3.482800     -0.1565000    


%chk=000019161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019161

0 1
O -1.831301 1.192966 -0.914252
O -0.907001 -3.155981 0.705462
O -0.608340 -2.283401 -1.426668
N 0.125276 0.631094 0.256008
N 0.725653 -0.382678 1.030174
C -3.308763 -1.060760 -0.175300
C -1.822364 -0.959505 0.276927
C -4.250717 -0.155397 0.648877
C -5.723183 -0.273925 0.194331
C -1.193131 0.374536 -0.202025
C -1.038631 -2.147792 -0.260936
C -6.675858 0.615964 1.021405
C 0.849883 1.880507 0.076795
C 1.870594 -1.095793 0.573188
C 0.424664 2.882467 -0.838565
C 2.025198 2.096414 0.845940
C 1.167399 4.077023 -0.958963
C 2.753921 3.296076 0.711683
C 2.599773 -1.862859 1.520662
C 2.265793 -1.089426 -0.787743
C 2.330813 4.298249 -0.189415
C 3.719038 -2.613865 1.104906
C 3.390637 -1.841667 -1.185873
C 4.125360 -2.606404 -0.250288
H -3.633421 -2.114816 -0.070221
H -3.371907 -0.794392 -1.245786
H -1.778321 -1.011352 1.379813
H -3.924389 0.897240 0.552694
H -4.178374 -0.426286 1.723810
H -6.047449 -1.332527 0.266087
H -5.793472 0.003252 -0.876746
H -6.650565 0.338001 2.092228
H -6.387638 1.681169 0.944250
H -7.720779 0.522524 0.672785
H 0.621384 -0.273285 2.043850
H -0.475499 2.729842 -1.432161
H 2.387307 1.329693 1.534981
H -0.402916 -3.916976 0.306774
H 0.825591 4.839472 -1.667851
H 3.658467 3.440557 1.312647
H 2.288742 -1.876229 2.573292
H 1.694413 -0.515573 -1.522184
H 2.899326 5.228441 -0.293265
H 4.275563 -3.202487 1.842998
H 3.689357 -1.832575 -2.239854
H 4.997468 -3.186035 -0.570069


