%chk=000039202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039202

0 1
 O    2.442500       1.511800      0.5683000    
 O    1.274200     -0.4543000      0.5606000    
 O   -5.038900      0.2289000     -0.9319000    
 N    5.549300     -0.3969000     -8.4299996E-02
 N   0.2595000       1.598400      7.3700003E-02
 C    5.265700      -1.784600      0.2809000    
 C    6.432100     -0.4834000      -1.247200    
 C    6.621800      -2.459600      0.1364000    
 C    7.389600      -1.602400     -0.8652000    
 C    4.339400      0.3633000     -0.3605000    
 C    3.626000      0.7971000      0.9224000    
 C    4.472800       1.712800       1.797200    
 C    1.304900      0.7612000      0.4119000    
 C   -7.054800     -0.7252000     -4.7899999E-02
 C   -1.086800       1.250700     -0.1803000    
 C   -7.674600      -1.905000      0.6957000    
 C   -5.557200     -0.9105000     -0.2472000    
 C   -3.743400      0.5641000     -0.6841000    
 C   -2.012300       2.240500     -0.5115000    
 C   -1.489600     -8.2400002E-02 -0.1012000    
 C   -3.340500       1.897300     -0.7633000    
 C   -2.817900     -0.4256000     -0.3531000    
 C   -9.162000      -1.696100      0.9307000    
 H    4.885000      -1.881800       1.302200    
 H    4.547800      -2.251100     -0.4058000    
 H    5.880100     -0.7602000      -2.154700    
 H    6.964000      0.4549000      -1.433900    
 H    7.153700      -2.475400       1.094900    
 H    6.520700      -3.493600     -0.2087000    
 H    7.700300      -2.181500      -1.740600    
 H    8.292000      -1.198100     -0.3917000    
 H    3.654000     -0.1866000      -1.019000    
 H    4.595200       1.275900     -0.9174000    
 H    3.368400     -7.6399997E-02   1.534300    
 H    4.763800       2.616700       1.250500    
 H    5.377700       1.213600       2.156000    
 H    3.896400       2.046200       2.667300    
 H   0.4824000       2.587800     -2.9000000E-03
 H   -7.539300     -0.5935000      -1.023500    
 H   -7.233700      0.2067000      0.5032000    
 H   -7.176000      -2.040700       1.662600    
 H   -7.525300      -2.826700      0.1215000    
 H   -5.097400      -1.028500      0.7427000    
 H   -5.365000      -1.806600     -0.8486000    
 H   -1.711300       3.282900     -0.5768000    
 H  -0.8283000     -0.9024000      0.1422000    
 H   -4.057000       2.672400      -1.021000    
 H   -3.084700      -1.477500     -0.3088000    
 H   -9.342300     -0.7997000       1.532600    
 H   -9.585800      -2.553500       1.463000    
 H   -9.697300      -1.586800     -1.7899999E-02


%chk=000039202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039202

0 1
O 2.591207 1.676137 0.518847
O 1.407186 -0.326118 0.949112
O -5.186597 0.547264 -0.087553
N 5.607047 -0.456488 -0.288001
N 0.350402 1.683099 0.263350
C 5.420554 -1.742287 0.446411
C 6.333226 -0.812397 -1.534849
C 6.697075 -2.576774 0.119723
C 7.410564 -1.796019 -1.032687
C 4.376872 0.327149 -0.498968
C 3.885504 0.980287 0.813281
C 4.836201 2.042756 1.358665
C 1.426547 0.884978 0.606420
C -7.238208 -0.732705 -0.012923
C -1.025189 1.318411 0.204392
C -7.918343 -2.094920 0.258672
C -5.724683 -0.794158 0.203233
C -3.798534 0.731416 0.031451
C -1.955263 2.322068 -0.183362
C -1.497655 0.017966 0.507389
C -3.326535 2.033327 -0.269435
C -2.877396 -0.271543 0.420408
C -9.445767 -2.043034 0.039995
H 5.299452 -1.561607 1.529252
H 4.502989 -2.274023 0.092358
H 5.665105 -1.317578 -2.279611
H 6.753399 0.091486 -2.011313
H 7.356992 -2.672215 0.998553
H 6.418258 -3.597104 -0.196818
H 7.775734 -2.460302 -1.835130
H 8.271258 -1.230825 -0.635191
H 3.548226 -0.299625 -0.914701
H 4.591281 1.131974 -1.227886
H 3.671606 0.198350 1.564874
H 4.912799 2.891739 0.655796
H 5.838364 1.594217 1.471828
H 4.492263 2.424692 2.335032
H 0.591405 2.646884 0.022965
H -7.439890 -0.410888 -1.052594
H -7.665537 0.042089 0.652198
H -7.704557 -2.415071 1.298863
H -7.476887 -2.867382 -0.403777
H -5.484344 -1.073363 1.251170
H -5.256696 -1.538074 -0.476098
H -1.602840 3.334144 -0.419521
H -0.787442 -0.755290 0.807512
H -4.048031 2.799721 -0.567651
H -3.214553 -1.284090 0.660188
H -9.917708 -1.303875 0.714060
H -9.914414 -3.025142 0.233114
H -9.686551 -1.750653 -0.999243


