%chk=000086668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086668

0 1
 O    3.487100      -2.389500       1.221900    
 O   -1.244400      -1.604400       1.090900    
 O    1.932500       1.612100      -1.777700    
 O   -4.131300       2.152100      5.7000001E-03
 N    4.057700      0.2680000     -0.2126000    
 N   -3.315000     -0.5381000     -0.9257000    
 N    2.976300       1.176700      0.2748000    
 N   -2.763500      0.2604000      0.2105000    
 C    3.509400      -1.043000     -0.7610000    
 C   -2.573100      -1.881100     -0.8848000    
 C    2.638100      -1.748400      0.2730000    
 C   -2.342500      -2.336700      0.5524000    
 C    4.973300      0.9476000      -1.222900    
 C    4.903300     -6.7400001E-02   1.023800    
 C   -3.026500      0.1035000      -2.277000    
 C   -4.800700     -0.8308000     -0.7612000    
 C  -0.1793000       1.881300      0.6127000    
 C   -1.196100       2.801000       1.297100    
 C    1.104100       2.615400      0.2098000    
 C   -2.476000       2.064900       1.707400    
 C    2.104700       1.704800     -0.5439000    
 C   -3.226000       1.448100      0.5009000    
 C    1.669800      -2.766500     -0.3150000    
 C   -2.082000      -3.830000      0.7009000    
 H    4.371600      -1.659200      -1.044800    
 H    2.944000     -0.8128000      -1.667800    
 H   -1.607600      -1.727900      -1.383000    
 H   -3.156300      -2.604300      -1.465600    
 H    2.028300      -1.028800      0.8297000    
 H   -3.214400      -2.112800       1.176900    
 H    5.871500      0.3329000      -1.339100    
 H    5.234500       1.938400     -0.8401000    
 H    4.463600       1.022500      -2.185300    
 H    5.489600      0.8242000       1.272700    
 H    5.580000     -0.8939000      0.7880000    
 H    4.248500     -0.2812000       1.872200    
 H   -1.965100      0.3657000      -2.315400    
 H   -3.275700     -0.6195000      -3.059800    
 H   -3.645000      0.9959000      -2.391600    
 H   -4.989800      -1.168100      0.2607000    
 H   -5.373200      7.4100003E-02 -0.9748000    
 H   -5.089700      -1.601000      -1.483100    
 H  -0.6111000       1.447200     -0.2943000    
 H   7.3200002E-02   1.045200       1.276000    
 H  -0.7416000       3.245100       2.190500    
 H   -1.448900       3.626000      0.6202000    
 H   0.8562000       3.480400     -0.4204000    
 H    1.594700       3.014100       1.107500    
 H   -2.229400       1.262100       2.414800    
 H   -3.136400       2.760400       2.241900    
 H    2.214200      -3.549900     -0.8534000    
 H   0.9657000      -2.291800      -1.004500    
 H    1.106600      -3.265200      0.4801000    
 H   -1.198100      -4.128300      0.1279000    
 H   -2.937000      -4.415800      0.3502000    
 H   -1.884700      -4.088100       1.746800    
 H    2.919100      -2.806900       1.891700    
 H   -1.126700      -1.884000       2.014600    


%chk=000086668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086668

0 1
O 3.425346 -2.071020 1.298079
O -1.474737 -3.669842 0.998569
O 2.090368 1.468473 -1.648362
O -3.709135 1.858359 -0.379328
N 4.319981 0.577667 -0.217716
N -3.095768 -0.851077 -0.738574
N 3.340924 1.584486 0.410177
N -2.578763 -0.084430 0.492191
C 3.657885 -0.734410 -0.708780
C -2.468792 -2.237499 -0.602671
C 2.644681 -1.336095 0.266573
C -2.754801 -2.958906 0.728633
C 5.052969 1.220011 -1.389455
C 5.299511 0.297024 0.901528
C -2.580376 -0.237719 -2.042065
C -4.617882 -0.908539 -0.766481
C 0.027133 2.014378 0.623047
C -1.131198 2.871571 1.175843
C 1.289950 2.826962 0.240532
C -2.331797 2.005435 1.652333
C 2.305550 1.903103 -0.440689
C -2.961955 1.239952 0.483078
C 1.681222 -2.283354 -0.469874
C -3.908777 -3.975813 0.684149
H 4.472372 -1.458222 -0.897721
H 3.138183 -0.449942 -1.635759
H -1.381889 -2.073778 -0.647960
H -2.794982 -2.834862 -1.474245
H 2.078125 -0.515201 0.747236
H -2.913944 -2.180979 1.500346
H 5.778961 0.501020 -1.808541
H 5.569416 2.113664 -1.008757
H 4.292372 1.500811 -2.133175
H 5.661376 1.266142 1.273073
H 6.127045 -0.319984 0.511346
H 4.768216 -0.247156 1.692603
H -1.484465 -0.165826 -1.970479
H -2.875225 -0.883800 -2.887531
H -3.018866 0.767741 -2.120877
H -4.965084 -1.250035 0.218965
H -4.967258 0.120393 -0.940527
H -4.949068 -1.599005 -1.562042
H -0.317448 1.463226 -0.271032
H 0.303712 1.250170 1.378118
H -0.771536 3.480750 2.030142
H -1.484315 3.577824 0.398849
H 1.013357 3.624013 -0.476064
H 1.735769 3.294268 1.137004
H -1.993660 1.295895 2.429792
H -3.113472 2.659143 2.082708
H 2.235048 -3.106905 -0.957066
H 1.123125 -1.724447 -1.243854
H 0.942193 -2.724501 0.225044
H -3.692593 -4.769364 -0.054546
H -4.868608 -3.501900 0.413898
H -4.048404 -4.454676 1.672156
H 2.789079 -2.481270 1.936625
H -1.578569 -4.197222 1.830935


