%chk=000175984.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175984

0 1
 O    4.352100      0.9425000      -1.180300    
 O  -0.8053000      -3.778100      0.2539000    
 O   0.5628000      -3.094900      -1.473600    
 N    3.144700       1.879800      0.5697000    
 C   -1.105700       2.182600     -0.6657000    
 C   -2.220700       1.754800      0.2916000    
 C   0.2052000       2.426500      8.4899999E-02
 C   -3.524900       1.478900     -0.4603000    
 C    1.361000       2.851100     -0.8286000    
 C   -4.646200       1.083000      0.5028000    
 C    2.696400       3.057900     -0.1202000    
 C   -5.968900      0.7727000     -0.2011000    
 C    2.991100     -0.9668000       1.425200    
 C    4.240300     -0.2391000      0.9309000    
 C    2.222100      -1.643600      0.2872000    
 C    3.944600      0.9071000     -2.2500001E-02
 C   -7.093500      0.4042000      0.7541000    
 C    1.001000      -2.396000      0.8146000    
 C   0.2575000      -3.113200     -0.2891000    
 C   -1.613700      -4.509400     -0.6735000    
 H  -0.9525000       1.405000      -1.423800    
 H   -1.401800       3.096800      -1.193800    
 H   -2.384500       2.542000       1.037700    
 H   -1.913800      0.8525000      0.8348000    
 H   5.0999999E-02   3.200300      0.8470000    
 H   0.4791000       1.507800      0.6178000    
 H   -3.824400       2.372000      -1.021800    
 H   -3.366700      0.6753000      -1.189500    
 H    1.487500       2.089000      -1.608200    
 H    1.088500       3.781800      -1.341000    
 H   -4.334800      0.2036000       1.080200    
 H   -4.805900       1.894400       1.223800    
 H    2.607800       3.855700      0.6247000    
 H    3.457400       3.360200     -0.8479000    
 H   -5.819100     -5.2499998E-02 -0.9075000    
 H   -6.278700       1.643500     -0.7913000    
 H    2.877600       1.779700       1.544100    
 H    2.324300     -0.2801000       1.958700    
 H    3.301000      -1.727900       2.151900    
 H    4.911300     -0.9420000      0.4235000    
 H    4.790600      0.1691000       1.787100    
 H    2.885500      -2.339100     -0.2419000    
 H    1.896400     -0.8969000     -0.4472000    
 H   -6.834500     -0.4857000       1.336400    
 H   -7.297500       1.223300       1.450900    
 H   -8.011700      0.1927000      0.1975000    
 H   0.3105000      -1.691300       1.291500    
 H    1.317200      -3.142500       1.551900    
 H   -2.420200      -4.991700     -0.1148000    
 H   -1.017900      -5.282500      -1.167800    
 H   -2.053900      -3.830000      -1.409500    


%chk=000175984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175984

0 1
O 4.459439 1.117947 -1.306922
O -1.218286 -3.272563 0.505285
O -0.674939 -1.453381 -0.840261
N 3.338514 1.800911 0.609862
C -0.935985 2.110717 -0.636765
C -2.113653 1.670828 0.260858
C 0.331016 2.489726 0.162956
C -3.326777 1.152965 -0.543745
C 1.516091 2.898348 -0.740021
C -4.493627 0.671517 0.347335
C 2.857448 3.064429 0.016211
C -5.694479 0.122378 -0.456721
C 3.189400 -1.139285 1.273594
C 4.400076 -0.437353 0.603271
C 2.051712 -1.469056 0.281603
C 4.071242 0.878955 -0.121774
C -6.857088 -0.355695 0.439927
C 0.859270 -2.160395 0.976172
C -0.382060 -2.227304 0.100132
C -2.504256 -3.387561 -0.228175
H -0.686126 1.279349 -1.325305
H -1.248229 2.968854 -1.268154
H -2.427776 2.513929 0.912271
H -1.763984 0.862906 0.938253
H 0.098532 3.312358 0.872484
H 0.624335 1.613469 0.779918
H -3.689900 1.953644 -1.221919
H -2.989190 0.319045 -1.192560
H 1.660441 2.140956 -1.534591
H 1.283026 3.853781 -1.252564
H -4.125913 -0.117880 1.038419
H -4.837838 1.507624 0.991905
H 2.756920 3.812267 0.826014
H 3.635816 3.411295 -0.685561
H -5.350405 -0.714608 -1.099554
H -6.059106 0.909771 -1.147637
H 3.021098 1.546586 1.545828
H 2.785961 -0.516413 2.101151
H 3.550513 -2.071691 1.752470
H 4.844471 -1.099992 -0.159201
H 5.183446 -0.241602 1.362695
H 2.441443 -2.116883 -0.527140
H 1.694796 -0.545394 -0.209794
H -6.527643 -1.162898 1.121875
H -7.240026 0.472862 1.065206
H -7.700888 -0.743608 -0.160246
H 0.575773 -1.590427 1.886345
H 1.111098 -3.179636 1.318924
H -3.013943 -4.244662 0.233295
H -2.317372 -3.564334 -1.300561
H -3.094686 -2.462296 -0.111590


