%chk=000071227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071227

0 1
 O    4.198200       2.039400       2.082200    
 O    3.293800     -0.3130000      0.9076000    
 O   -2.767500       2.739000       2.064100    
 N    2.199300       2.437400      -1.004900    
 N   -2.553500       1.568200      4.1999999E-03
 N   -3.862900      0.6872000       1.637400    
 C   0.8387000       2.941700      -1.223600    
 C  -0.2051000       2.059300     -0.4947000    
 C   -1.668700       2.433700     -0.7304000    
 C   0.5662000       2.890300      -2.735800    
 C   0.7803000       4.400900     -0.7519000    
 C    2.544100       2.495600      0.4052000    
 C    3.960700       1.981700      0.6727000    
 C   -3.095200      0.3623000     -0.4686000    
 C   -3.022800       1.794900       1.329600    
 C   -3.896700     -0.1718000      0.5386000    
 C    4.182700      0.5465000      0.2006000    
 C   -2.938700     -0.2770000      -1.680800    
 C   -4.576800      -1.360100      0.3893000    
 C   -3.619600      -1.486200      -1.856300    
 C   -4.429700      -2.021800     -0.8327000    
 C    2.864400      -1.432400      0.2462000    
 C    1.606900      -1.995500      0.5095000    
 C    1.207900      -3.153500     -0.1994000    
 C    3.718400      -1.997600     -0.6990000    
 C   0.7356000      -1.437300       1.459100    
 C    2.079000      -3.711600      -1.149200    
 C    3.325800      -3.136200      -1.396400    
 C  -5.0500002E-02  -3.719300      6.2100001E-02
 C  -0.5110000      -2.012900       1.706300    
 C  -0.9033000      -3.151800       1.009200    
 H  -5.6299999E-02   1.009500     -0.7840000    
 H  -5.6899998E-02   2.096000      0.5906000    
 H   -1.942200       2.395400      -1.788400    
 H   -1.846200       3.456700     -0.3808000    
 H    2.869500       2.986500      -1.542900    
 H  -0.3808000       3.370600      -3.003200    
 H   0.5387000       1.857500      -3.102900    
 H    1.348100       3.417400      -3.296900    
 H  -0.1078000       4.903500      -1.154000    
 H    1.644100       4.979900      -1.100600    
 H   0.7140000       4.495100      0.3373000    
 H    2.515300       3.514900      0.8049000    
 H    1.872400       1.900300       1.030300    
 H    4.689300       2.642700      0.1879000    
 H    4.037500      0.5114000     -0.8860000    
 H    5.208500      0.2407000      0.4388000    
 H   -4.359600      0.5354000       2.506500    
 H   -2.315900      0.1233000      -2.471800    
 H   -5.197600      -1.770500       1.176700    
 H    5.111500       1.743600       2.237400    
 H   -3.523200      -2.025200      -2.795500    
 H   -4.944900      -2.964300     -0.9993000    
 H    4.713600      -1.613200     -0.9008000    
 H    1.010300     -0.5462000       2.019400    
 H    1.793900      -4.602600      -1.704700    
 H    3.993300      -3.583600      -2.127400    
 H  -0.3786000      -4.608800     -0.4717000    
 H   -1.176500      -1.570000       2.441600    
 H   -1.874600      -3.598300       1.201200    


%chk=000071227-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071227

0 1
O 4.687225 1.489251 1.383537
O 2.545172 -0.154671 0.546281
O -1.697585 1.351091 1.919840
N 2.345879 3.154429 -1.082714
N -2.079559 1.130387 -0.436987
N -2.528283 -0.646606 0.863105
C 0.896015 3.541578 -1.174122
C 0.069806 2.244499 -0.933386
C -1.464375 2.411198 -0.811899
C 0.673375 4.059343 -2.616448
C 0.524018 4.659152 -0.154495
C 2.905399 2.789921 0.240250
C 4.006250 1.708240 0.097547
C -2.505643 0.093087 -1.288418
C -2.062433 0.684996 0.911656
C -2.796360 -1.037731 -0.460224
C 3.475889 0.388016 -0.469611
C -2.669553 0.032108 -2.683417
C -3.257393 -2.244810 -1.009475
C -3.136716 -1.186382 -3.237859
C -3.425594 -2.304808 -2.416210
C 1.943958 -1.397300 0.289881
C 1.027989 -1.863527 1.305064
C 0.382544 -3.146110 1.111025
C 2.191896 -2.158266 -0.859061
C 0.733353 -1.100635 2.479792
C 0.660596 -3.912026 -0.070167
C 1.543192 -3.420597 -1.030079
C -0.528629 -3.615234 2.114797
C -0.161618 -1.584613 3.439156
C -0.795705 -2.854827 3.258333
H 0.302703 1.533087 -1.749000
H 0.408403 1.773068 0.007043
H -1.925118 2.766372 -1.750817
H -1.709106 3.129117 -0.010516
H 2.934044 3.851868 -1.559779
H -0.385615 4.321356 -2.788108
H 0.971044 3.289411 -3.350838
H 1.272630 4.971226 -2.806944
H -0.506249 5.029911 -0.307666
H 1.208405 5.520597 -0.271789
H 0.598312 4.296710 0.886726
H 3.353838 3.645430 0.789290
H 2.104118 2.383262 0.881365
H 4.798564 2.077181 -0.579829
H 2.936329 0.574562 -1.417339
H 4.306716 -0.328134 -0.619969
H -2.496588 -1.251742 1.682876
H -2.443932 0.890108 -3.324775
H -3.476366 -3.111446 -0.377346
H 4.082390 0.937719 1.945783
H -3.274696 -1.262987 -4.321728
H -3.783709 -3.233114 -2.873843
H 2.876428 -1.804199 -1.633922
H 1.199866 -0.120486 2.607139
H 0.167451 -4.880674 -0.207946
H 1.750742 -4.000588 -1.935796
H -1.006255 -4.592512 1.973771
H -0.386583 -0.983266 4.325590
H -1.481975 -3.233187 4.024576


