%chk=000003105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003105

0 1
 O  -0.5253000      -1.080400      0.4009000    
 O   -1.934800       1.016300     -0.7584000    
 O    3.774000       1.494400       1.766400    
 O   0.9431000      -2.185600      -1.033800    
 O   -2.362500       1.854200       1.376100    
 N    5.842600      0.6568000     -5.5199999E-02
 C  -0.7622000      -3.480600      0.1506000    
 C   -4.223400       1.247200     -9.2399999E-02
 C    2.115800       1.423400      5.7599999E-02
 C    3.570500       1.574400      0.3493000    
 C  -0.6593000      -3.677500       1.671700    
 C  -0.1428000      -4.695900     -0.5520000    
 C   -2.240100      -3.333100     -0.2342000    
 C   5.0000002E-04  -2.212500     -0.2513000    
 C   -4.524200       2.091600      -1.341300    
 C   -5.118600       1.724500       1.058800    
 C   -4.498200     -0.2284000     -0.4102000    
 C   -2.750700       1.421300      0.2974000    
 C   0.1017000      8.9500003E-02  9.4300002E-02
 C  -0.5720000       1.144700     -0.4807000    
 C    1.462500      0.2305000      0.3667000    
 C    4.421000      0.4976000     -0.3533000    
 C    1.408500       2.475500     -0.5241000    
 C   4.7699999E-02   2.334400     -0.7969000    
 C    6.626100     -0.3823000     -0.7060000    
 H    3.925400       2.564500      3.7200000E-02
 H   0.3885000      -3.725100       1.990500    
 H   -1.151000      -4.604900       1.986100    
 H   -1.126300      -2.852100       2.221000    
 H   0.9146000      -4.813300     -0.2882000    
 H  -0.6615000      -5.621100     -0.2771000    
 H  -0.1994000      -4.593400      -1.641900    
 H   -2.794600      -4.258200     -4.1200001E-02
 H   -2.722100      -2.534300      0.3367000    
 H   -2.347400      -3.089100      -1.297100    
 H   -4.267100       3.144000      -1.174000    
 H   -5.585700       2.041500      -1.608200    
 H   -3.948900       1.752200      -2.210000    
 H   -4.930700       1.147500       1.971700    
 H   -6.179700       1.615300      0.8084000    
 H   -4.936400       2.779400       1.294700    
 H   -3.873800     -0.5974000      -1.231200    
 H   -4.296800     -0.8539000      0.4660000    
 H   -5.545300     -0.3825000     -0.6942000    
 H    2.001800     -0.5799000      0.8510000    
 H    4.113300     -0.5012000     -2.0600000E-02
 H    4.255000      0.5566000      -1.436400    
 H    1.902900       3.411300     -0.7709000    
 H  -0.5025000       3.153000      -1.250300    
 H    5.985900      0.6097000      0.9532000    
 H    3.119500       2.070100       2.197900    
 H    6.343600      -1.380200     -0.3552000    
 H    6.515500     -0.3404000      -1.794500    
 H    7.686400     -0.2349000     -0.4785000    


%chk=000003105-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003105

0 1
O -0.600782 -1.069113 0.363798
O -1.840583 1.203236 -0.755226
O 4.127270 0.643474 1.743166
O 0.877580 -2.554946 -0.696183
O -2.567175 0.954539 1.457839
N 6.053009 0.809870 -0.309982
C -1.082276 -3.439947 0.569169
C -4.240651 1.072241 -0.392460
C 2.296518 1.327623 0.205144
C 3.791093 1.362021 0.489868
C -0.921132 -3.410380 2.120215
C -0.664471 -4.820531 0.009388
C -2.558691 -3.126732 0.198027
C -0.146517 -2.370058 -0.014383
C -4.493607 2.524517 -0.903096
C -5.286349 0.697906 0.685330
C -4.313209 0.082413 -1.587791
C -2.843437 1.043321 0.249384
C 0.192427 0.082877 0.117026
C -0.469038 1.233603 -0.375717
C 1.567385 0.132826 0.414406
C 4.618710 0.652714 -0.596460
C 1.629399 2.473173 -0.292058
C 0.249338 2.426087 -0.580195
C 6.947338 0.183184 -1.298015
H 4.142011 2.413246 0.557661
H 0.121155 -3.624074 2.419959
H -1.570730 -4.185259 2.566616
H -1.212644 -2.427753 2.528267
H 0.386802 -5.050100 0.253761
H -1.308566 -5.604854 0.446272
H -0.766666 -4.854648 -1.089509
H -3.211264 -3.917776 0.610855
H -2.871514 -2.156698 0.617907
H -2.699485 -3.103472 -0.898248
H -4.434504 3.255761 -0.076419
H -5.506416 2.583556 -1.341750
H -3.758680 2.805070 -1.676664
H -5.120067 -0.326075 1.064882
H -6.300164 0.748209 0.248733
H -5.236509 1.385096 1.547072
H -3.567017 0.333298 -2.359273
H -4.135893 -0.956539 -1.258081
H -5.320984 0.131990 -2.039562
H 2.081787 -0.748609 0.805625
H 4.281823 -0.413335 -0.648696
H 4.390435 1.114368 -1.576785
H 2.186785 3.403532 -0.450486
H -0.285721 3.302035 -0.959212
H 6.252105 0.516219 0.655360
H 3.631225 1.056791 2.494099
H 6.775734 -0.911427 -1.447708
H 6.819656 0.674559 -2.281265
H 7.998254 0.326174 -0.989704


