%chk=000017539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017539

0 1
 O   -2.828900       2.682300      0.1575000    
 O   -2.152700      0.7483000       1.215600    
 N  -0.2873000      0.4167000     -0.8340000    
 C    1.086900      0.4894000      -1.319200    
 C   -1.144000     -0.2535000      -1.813400    
 C    2.053300      0.6318000     -0.1438000    
 C  -0.9449000      -1.767000      -1.738500    
 C    3.521900      0.7083000     -0.5734000    
 C   -1.277200      -2.354000     -0.3629000    
 C  -0.8010000       1.755600     -0.5413000    
 C    4.494400      0.8247000      0.6025000    
 C   -1.054100      -3.865500     -0.2764000    
 C    5.936700      0.9705000      0.1150000    
 C   -1.469100      -4.408500       1.091700    
 C   -1.981200       1.635000      0.3903000    
 C    6.912000       1.054800       1.278400    
 C   -1.220700      -5.904800       1.196000    
 C   -4.008900       2.712500      0.9669000    
 C   -4.835200       3.923400      0.5891000    
 H    1.217500       1.316200      -2.030200    
 H    1.379900     -0.4178000      -1.858300    
 H  -0.9517000      0.1068000      -2.832300    
 H   -2.205200     -5.8600001E-02  -1.612400    
 H    1.928400     -0.2247000      0.5318000    
 H    1.827500       1.527900      0.4447000    
 H   -1.602600      -2.233100      -2.483700    
 H   7.2899997E-02  -2.054300      -2.022800    
 H    3.772700     -0.1837000      -1.160800    
 H    3.651600       1.571900      -1.237600    
 H  -0.6640000      -1.873300      0.4087000    
 H   -2.323600      -2.127300     -0.1230000    
 H   -1.087900       2.278200      -1.462500    
 H  -7.5499997E-02   2.383600     -1.4000000E-02
 H    4.225800       1.692400       1.217100    
 H    4.404600     -6.3500002E-02   1.239500    
 H   -1.632800      -4.367400      -1.061300    
 H   3.5999999E-03  -4.089400     -0.4604000    
 H    6.032300       1.871800     -0.5016000    
 H    6.204700      0.1152000     -0.5162000    
 H   -2.532400      -4.206500       1.265900    
 H  -0.9077000      -3.896200       1.881800    
 H    6.864800      0.1523000       1.896100    
 H    7.936300       1.159400      0.9075000    
 H    6.690800       1.918400       1.913800    
 H  -0.1596000      -6.136800       1.060000    
 H   -1.525100      -6.271800       2.181200    
 H   -1.792000      -6.450900      0.4385000    
 H   -3.725300       2.772800       2.023500    
 H   -4.590800       1.799600      0.7977000    
 H   -4.259900       4.843400      0.7357000    
 H   -5.111100       3.886300     -0.4700000    
 H   -5.747200       3.977500       1.190100    


%chk=000017539-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017539

0 1
O -2.594760 2.813577 0.277580
O -2.948602 0.511250 0.207897
N -0.376271 0.241102 -1.180206
C 1.071546 0.356599 -1.497757
C -1.123161 -0.638685 -2.123502
C 1.946548 0.680937 -0.268046
C -0.867963 -2.144067 -1.884693
C 3.449126 0.774474 -0.618886
C -1.373197 -2.638055 -0.512168
C -1.009680 1.551993 -0.983497
C 4.334394 1.123308 0.598816
C -1.054172 -4.126483 -0.250391
C 5.839912 1.205008 0.257368
C -1.578502 -4.628244 1.114537
C -2.268646 1.508470 -0.114527
C 6.715270 1.564493 1.477594
C -1.249128 -6.113271 1.380945
C -3.832750 2.960216 1.104567
C -3.963977 4.441213 1.444307
H 1.258776 1.117630 -2.300203
H 1.400517 -0.614381 -1.910524
H -0.880934 -0.379124 -3.186350
H -2.200733 -0.448184 -1.975407
H 1.779545 -0.104162 0.494471
H 1.625190 1.637709 0.191936
H -1.372229 -2.708590 -2.697028
H 0.214405 -2.369106 -1.982584
H 3.787359 -0.190205 -1.052339
H 3.598753 1.539820 -1.409732
H -0.924949 -2.004579 0.276880
H -2.467540 -2.472455 -0.445919
H -1.295861 2.056461 -1.944146
H -0.303017 2.238553 -0.486506
H 4.003836 2.093098 1.026535
H 4.180312 0.364985 1.394634
H -1.491026 -4.750859 -1.059175
H 0.044794 -4.283520 -0.298285
H 5.991415 1.958242 -0.542875
H 6.170810 0.233690 -0.163973
H -2.676145 -4.476435 1.159294
H -1.147469 -4.000363 1.920731
H 6.605952 0.809969 2.279465
H 7.786114 1.618046 1.207719
H 6.422967 2.545020 1.898747
H -0.155649 -6.284177 1.369650
H -1.633153 -6.446209 2.363143
H -1.696453 -6.763531 0.605046
H -3.726428 2.326071 2.003218
H -4.689654 2.581554 0.517839
H -3.087162 4.793509 2.014051
H -4.051843 5.050766 0.528716
H -4.867485 4.605323 2.059631


