%chk=000102673.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102673

0 1
 O    4.157600       1.480500     -9.8999999E-02
 O   -4.157700      -1.480500     -9.8899998E-02
 N   8.1500001E-02  0.6894000     -0.3510000    
 N  -8.1500001E-02 -0.6897000     -0.3510000    
 C    3.557100      0.2969000      0.4470000    
 C   -3.557000     -0.2969000      0.4469000    
 C    2.349200     -0.1264000     -0.3826000    
 C   -2.349100      0.1262000     -0.3826000    
 C    1.338100      0.9920000     -0.3510000    
 C   -1.338100     -0.9921000     -0.3510000    
 C    1.889300       2.366100     -0.3510000    
 C   -1.889500      -2.366200     -0.3510000    
 C    4.604400     -0.7956000      0.4860000    
 C   -4.604300      0.7957000      0.4860000    
 C    3.277800       2.523600     -0.2430000    
 C   -3.278000      -2.523600     -0.2429000    
 C    1.075200       3.493700     -0.4967000    
 C   -1.075400      -3.493800     -0.4966000    
 C    3.846500       3.797800     -0.3086000    
 C   -3.846700      -3.797800     -0.3085000    
 C    4.568500      -1.759900       1.493000    
 C   -4.568300       1.760000       1.493000    
 C    5.604600     -0.8376000     -0.4852000    
 C   -5.604400      0.8378000     -0.4852000    
 C    1.649000       4.766400     -0.5429000    
 C   -1.649300      -4.766500     -0.5429000    
 C    3.031300       4.918500     -0.4532000    
 C   -3.031600      -4.918500     -0.4531000    
 C    5.533400      -2.766600       1.529000    
 C   -5.533100       2.766800       1.529100    
 C    6.569400      -1.844500     -0.4492000    
 C   -6.569100       1.844700     -0.4492000    
 C    6.533700      -2.808900      0.5580000    
 C   -6.533300       2.809200      0.5580000    
 H    3.260000      0.5271000       1.480900    
 H   -3.259900     -0.5271000       1.480900    
 H    1.997100      -1.074400      3.2499999E-02
 H    2.622700     -0.2945000      -1.432300    
 H   -1.997000       1.074300      3.2400001E-02
 H   -2.622800      0.2944000      -1.432400    
 H  -3.5000001E-03   3.397200     -0.5848000    
 H   3.3000000E-03  -3.397400     -0.5848000    
 H    4.923700       3.924800     -0.2385000    
 H   -4.923800      -3.924600     -0.2384000    
 H    3.792800      -1.738700       2.253800    
 H   -3.792600       1.738700       2.253800    
 H    5.647500     -0.1070000      -1.288200    
 H   -5.647400      0.1073000      -1.288300    
 H    1.014600       5.640800     -0.6576000    
 H   -1.015000      -5.641000     -0.6577000    
 H    3.472700       5.909800     -0.4967000    
 H   -3.473200      -5.909800     -0.4967000    
 H    5.505100      -3.518100       2.312600    
 H   -5.504800       3.518300       2.312700    
 H    7.346600      -1.879700      -1.207000    
 H   -7.346300       1.880000      -1.207000    
 H    7.284300      -3.593300      0.5854000    
 H   -7.283800       3.593700      0.5854000    


%chk=000102673-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102673

0 1
O 4.351755 1.465206 -0.026813
O -4.351752 -1.465165 -0.026746
N 0.189460 0.682043 0.261803
N -0.189443 -0.682066 0.261796
C 3.866655 0.151583 0.490402
C -3.866620 -0.151542 0.490441
C 2.517077 -0.203532 -0.167816
C -2.517048 0.203541 -0.167805
C 1.491404 0.887549 0.097837
C -1.491389 -0.887557 0.097833
C 2.002069 2.268736 0.123589
C -2.002078 -2.268734 0.123631
C 4.945158 -0.879437 0.221569
C -4.945109 0.879493 0.221612
C 3.408062 2.502776 0.009163
C -3.408078 -2.502752 0.009234
C 1.137144 3.399458 0.180060
C -1.137174 -3.399472 0.180116
C 3.922712 3.816523 -0.081210
C -3.922754 -3.816490 -0.081102
C 5.122563 -1.952322 1.129043
C -5.122509 1.952371 1.129095
C 5.740346 -0.821952 -0.949154
C -5.740290 0.822028 -0.949117
C 1.644073 4.706978 0.107938
C -1.644128 -4.706984 0.108031
C 3.042921 4.914059 -0.033696
C -3.042983 -4.914042 -0.033576
C 6.073013 -2.963681 0.866322
C -6.072944 2.963745 0.866376
C 6.697178 -1.828621 -1.207694
C -6.697107 1.828711 -1.207655
C 6.863369 -2.904756 -0.304706
C -6.863292 2.904840 -0.304659
H 3.714108 0.269664 1.584172
H -3.714056 -0.269610 1.584210
H 2.135672 -1.166661 0.211017
H 2.669622 -0.322031 -1.259543
H -2.135618 1.166666 0.211013
H -2.669609 0.322037 -1.259530
H 0.062409 3.211081 0.261597
H -0.062434 -3.211112 0.261630
H 5.004839 3.950378 -0.171564
H -5.004885 -3.950328 -0.171436
H 4.519186 -1.996510 2.044696
H -4.519137 1.996544 2.044753
H 5.621213 0.022955 -1.634804
H -5.621162 -0.022874 -1.634773
H 0.963893 5.563934 0.149428
H -0.963964 -5.563951 0.149529
H 3.444263 5.931359 -0.099088
H -3.444344 -5.931336 -0.098939
H 6.202601 -3.788832 1.575504
H -6.202527 3.788891 1.575563
H 7.314643 -1.773054 -2.111344
H -7.314567 1.773160 -2.111310
H 7.605591 -3.684918 -0.507634
H -7.605502 3.685013 -0.507586


