%chk=000047349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047349

0 1
 O    1.039100      -1.275200       1.912800    
 O   0.2756000       1.916500     -0.7379000    
 O    1.773800       3.175600      0.3952000    
 N    1.439100     -0.3679000     -0.1833000    
 N   -3.590100     -0.6335000      -1.635200    
 N   0.8987000      -3.678700      0.2534000    
 C    3.611900      0.8479000     -0.2556000    
 C    2.161800      0.7877000      0.2840000    
 C    4.379800     -0.4392000      0.1159000    
 C   0.1778000      -2.436500     -3.1199999E-02
 C   -1.276100      -2.528500      0.4594000    
 C    3.663500       1.123200      -1.764700    
 C   -2.188500      -1.537800     -0.2091000    
 C   0.9288000      -1.320300      0.6885000    
 C   -2.458200     -0.2333000      0.2451000    
 C    1.404200       2.077100     -6.0000001E-03
 C    5.838700     -0.4262000     -0.3204000    
 C   -3.349900      0.3229000     -0.6745000    
 C   -2.883000      -1.772000      -1.355300    
 C   -2.042600      0.5459000       1.343100    
 C   -3.848700       1.624500     -0.5506000    
 C   -2.533200       1.849500       1.480000    
 C   -3.422400       2.378500      0.5464000    
 H    4.113300       1.693600      0.2355000    
 H    2.211200      0.7343000       1.379200    
 H    4.343500     -0.5742000       1.204000    
 H    3.899800      -1.318200     -0.3300000    
 H   0.2041000      -2.278200      -1.115200    
 H   -1.335400      -2.408500       1.548900    
 H   -1.672600      -3.532200      0.2492000    
 H    1.260700     -0.4489000      -1.179700    
 H    4.689000       1.309300      -2.098500    
 H    3.084300       2.012000      -2.033400    
 H    3.269900      0.2770000      -2.337600    
 H    6.350300      0.4713000      4.0700000E-02
 H    6.358100      -1.298800      8.9100003E-02
 H    5.935300     -0.4711000      -1.409000    
 H   -2.947500      -2.633700      -2.004800    
 H   -4.200100     -0.5118000      -2.431800    
 H   0.8261000      -3.898600       1.246600    
 H   0.4474000      -4.452000     -0.2344000    
 H   -1.356000      0.1506000       2.085200    
 H   -4.540700       2.037200      -1.276900    
 H   -2.216300       2.454800       2.325100    
 H   -3.790700       3.393500      0.6721000    
 H  -0.1859000       2.767900     -0.8937000    


%chk=000047349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047349

0 1
O 1.394168 -1.655407 1.728532
O 0.106827 1.742519 -1.143207
O 1.165249 3.046362 0.464735
N 1.205083 -0.525505 -0.300034
N -3.357806 -0.317670 -1.726274
N 0.852402 -4.007252 0.366749
C 3.323844 0.887599 -0.337737
C 1.854483 0.697669 0.190215
C 4.232854 -0.230206 0.238810
C 0.185270 -2.778446 -0.081839
C -1.331345 -2.688944 0.359390
C 3.373738 0.959938 -1.881126
C -2.106048 -1.549170 -0.252572
C 0.981980 -1.606696 0.523857
C -2.242215 -0.195458 0.263379
C 1.025670 1.945578 -0.107380
C 5.733966 -0.023731 -0.056437
C -3.026946 0.554368 -0.683647
C -2.801805 -1.579813 -1.464012
C -1.767516 0.457031 1.432878
C -3.331149 1.922923 -0.501684
C -2.068690 1.819227 1.623095
C -2.837842 2.546755 0.664937
H 3.663184 1.860284 0.076284
H 1.908870 0.604023 1.291661
H 4.079357 -0.282565 1.334499
H 3.903552 -1.208951 -0.162388
H 0.212204 -2.717254 -1.188726
H -1.353497 -2.639341 1.464889
H -1.793107 -3.653713 0.070256
H 0.739408 -0.485672 -1.209261
H 4.393402 1.200977 -2.227700
H 2.696057 1.736772 -2.280173
H 3.088130 -0.010374 -2.329688
H 6.082650 0.960801 0.310086
H 6.338018 -0.801682 0.445160
H 5.955370 -0.080242 -1.137626
H -2.953524 -2.411750 -2.150348
H -3.928501 -0.082205 -2.534862
H 1.222018 -3.917669 1.320759
H 0.316078 -4.865506 0.213140
H -1.167094 -0.087374 2.170872
H -3.938376 2.480416 -1.224332
H -1.700167 2.337994 2.514128
H -3.058070 3.604763 0.845428
H -0.522237 2.512097 -1.202087


