%chk=000063417.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063417

0 1
 O    1.691900       1.932400      -1.615100    
 O   -4.102500       1.106200      0.3340000    
 N    4.559500     -0.3686000      0.2488000    
 N  -9.9999998E-03   1.209800     -0.1668000    
 N   -2.096800     -9.0599999E-02  0.1667000    
 C    4.478700      -1.601400     -0.5472000    
 C    5.932600      0.1545000      0.2801000    
 C    5.399100      -2.684200      1.7800000E-02
 C    6.900600     -0.8711000      0.8724000    
 C    6.838900      -2.192900      0.1157000    
 C    3.639500      0.6403000     -0.2757000    
 C    2.217000      0.1248000     -0.1898000    
 C    1.280300       1.185200     -0.7244000    
 C  -0.6518000      1.2000001E-03  0.3628000    
 C  -0.7605000       2.419200     -1.6899999E-02
 C   -2.141800       2.359700      0.2256000    
 C   -2.877400       1.068700      0.2405000    
 C   -2.695900      -1.401400      8.3499998E-02
 C  -0.1511000       3.686200     -5.6499999E-02
 C   -2.884400       3.541100      0.4029000    
 C  -0.8942000       4.856100      0.1211000    
 C   -2.261000       4.784100      0.3491000    
 C   -3.934600      -1.557000     -0.5315000    
 C   -2.030800      -2.500600      0.6186000    
 C   -4.513700      -2.823400     -0.6120000    
 C   -2.610000      -3.767000      0.5379000    
 C   -3.851400      -3.928300     -7.7399999E-02
 C   -4.470200      -5.282600     -0.1640000    
 H    4.732900      -1.410200      -1.598100    
 H    3.480700      -2.045900     -0.5222000    
 H    5.972500       1.057800      0.9008000    
 H    6.266800      0.4360000     -0.7273000    
 H    5.356900      -3.576100     -0.6178000    
 H    5.047500      -2.984100       1.013400    
 H    6.653800      -1.042300       1.928000    
 H    7.922200     -0.4758000      0.8432000    
 H    7.459600      -2.943300      0.6174000    
 H    7.248500      -2.056900     -0.8928000    
 H    3.906200      0.9015000      -1.308500    
 H    3.719600       1.560500      0.3179000    
 H    2.033000     -0.7499000     -0.8193000    
 H    1.965600     -0.1190000      0.8481000    
 H  -0.4474000     -3.4000002E-02   1.440100    
 H  -0.1731000     -0.8528000     -0.1258000    
 H   0.9208000       3.793000     -0.1995000    
 H   -3.956500       3.514900      0.5813000    
 H  -0.3985000       5.822100      8.8200003E-02
 H   -2.840500       5.691700      0.4879000    
 H   -4.461000     -0.7392000      -1.012000    
 H   -1.077100      -2.416600       1.130600    
 H   -5.474700      -2.939200      -1.106300    
 H   -2.086600      -4.620000      0.9618000    
 H   -5.563700      -5.218800     -0.1573000    
 H   -4.153800      -5.781900      -1.085000    
 H   -4.180800      -5.904400      0.6900000    


%chk=000063417-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063417

0 1
O 1.826355 2.756095 -0.485370
O -3.986858 1.013872 -0.536904
N 4.208860 -0.719930 0.085718
N -0.084491 1.825387 0.483528
N -1.950403 0.263750 0.382736
C 3.802805 -1.942300 -0.657968
C 5.673614 -0.485845 -0.036685
C 4.546253 -3.188273 -0.134542
C 6.476148 -1.682536 0.511806
C 6.076503 -2.987745 -0.213173
C 3.428205 0.478730 -0.309379
C 1.997909 0.432542 0.266300
C 1.260625 1.759555 0.050318
C -0.774989 0.716342 1.164752
C -0.945948 2.955558 0.270530
C -2.337073 2.669702 0.112112
C -2.849975 1.267391 -0.036109
C -2.199490 -1.144191 0.215896
C -0.490455 4.296217 0.234967
C -3.256418 3.734963 -0.045239
C -1.425539 5.341292 0.080197
C -2.809422 5.069180 -0.051500
C -2.832326 -1.637202 -0.955941
C -1.789004 -2.065492 1.212479
C -3.031671 -3.020845 -1.117689
C -1.986359 -3.451902 1.028418
C -2.611325 -3.958270 -0.136448
C -2.843950 -5.446340 -0.328813
H 4.008361 -1.823823 -1.756204
H 2.712889 -2.088120 -0.544976
H 5.924814 0.431308 0.528128
H 5.966500 -0.309762 -1.106250
H 4.236600 -4.073697 -0.722611
H 4.249833 -3.363186 0.917891
H 6.270030 -1.782428 1.595184
H 7.558677 -1.483992 0.392292
H 6.605184 -3.854664 0.226390
H 6.384914 -2.926018 -1.277580
H 3.381828 0.612649 -1.417683
H 3.934710 1.374582 0.090192
H 1.421041 -0.392322 -0.194868
H 2.079871 0.201294 1.347484
H -1.100904 1.074043 2.162683
H -0.093298 -0.130235 1.296514
H 0.575561 4.507089 0.318969
H -4.310963 3.479278 -0.189710
H -1.067963 6.376793 0.065069
H -3.524252 5.889798 -0.170129
H -3.174539 -0.937726 -1.720831
H -1.344377 -1.713657 2.150378
H -3.521229 -3.382365 -2.030303
H -1.661212 -4.146030 1.812400
H -3.924301 -5.686429 -0.321877
H -2.441338 -5.796363 -1.297579
H -2.365121 -6.038223 0.470031


