%chk=000178870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178870

0 1
 O   -3.568900       1.486900     -0.2281000    
 O   -2.320300      -4.149000     -8.9699998E-02
 O   -4.485000     -0.2822000      0.9063000    
 O   -4.130800      -2.770300      0.1883000    
 O    6.193600     -0.4114000       1.566700    
 N  -0.1157000     -0.8399000     -0.1063000    
 N  -0.6677000      -2.065200     -0.1278000    
 N    5.400300     -0.3135000     -0.6513000    
 C   -1.018600      0.1732000      5.4499999E-02
 C   -2.248300     -0.4386000      0.1435000    
 C    1.267300     -0.7077000     -0.2426000    
 C  -0.6664000       1.571100      0.1091000    
 C   -1.970500      -1.813600      2.5200000E-02
 C    1.819200     -0.5651000      -1.508600    
 C    2.071000     -0.7210000      0.8891000    
 C  -0.6224000       2.326300      -1.062900    
 C  -0.3705000       2.167800       1.334600    
 C   -3.510100      0.2196000      0.3184000    
 C    4.018100     -0.4453000     -0.5146000    
 C    3.201200     -0.4333000      -1.645300    
 C    3.452900     -0.5891000      0.7526000    
 C   -2.902900      -2.905600      5.1600002E-02
 C  -0.2827000       3.678000      -1.009200    
 C  -3.0900000E-02   3.519600       1.388300    
 C   1.3100000E-02   4.274600      0.2165000    
 C   -4.802100       2.201700     -8.9599997E-02
 C    6.372400     -0.3028000      0.3579000    
 C   -4.663100       3.557200     -0.7492000    
 C   -3.193800      -5.283700     -7.1900003E-02
 C    7.761600     -0.1388000     -0.2056000    
 H    1.193200     -0.5541000      -2.397100    
 H    1.641400     -0.8324000       1.881600    
 H  -0.8510000       1.876400      -2.026200    
 H  -0.4006000       1.593200       2.257400    
 H    3.627800     -0.3218000      -2.638900    
 H    4.019300     -0.6071000       1.673100    
 H  -0.2490000       4.266200      -1.921600    
 H   0.1992000       3.984300       2.342600    
 H   0.2774000       5.327200      0.2583000    
 H    5.734300     -0.2129000      -1.607500    
 H   -5.030900       2.328000      0.9742000    
 H   -5.606300       1.634900     -0.5710000    
 H   -5.590100       4.130900     -0.6642000    
 H   -3.850100       4.127900     -0.2881000    
 H   -4.411100       3.445900      -1.809100    
 H   -2.585100      -6.183500     -0.1933000    
 H   -3.719000      -5.339800      0.8861000    
 H   -3.905100      -5.224500     -0.9008000    
 H    7.995900     -0.9818000     -0.8617000    
 H    8.490900     -0.1084000      0.6087000    
 H    7.824500      0.7944000     -0.7725000    


%chk=000178870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178870

0 1
O -4.282338 0.765672 -0.257541
O -2.812522 -3.001970 -1.351278
O -3.439802 1.688512 1.710122
O -4.091265 -2.115568 0.386309
O 6.597351 0.346240 1.114327
N 0.067392 -0.308857 -0.152508
N -0.676339 -1.439067 -0.490599
N 5.705445 -0.872148 -0.684880
C -0.729432 0.739447 0.333693
C -2.052948 0.240827 0.315963
C 1.499220 -0.405694 -0.265087
C -0.220598 2.102589 0.602945
C -1.966275 -1.092432 -0.210413
C 2.042557 -1.159700 -1.331657
C 2.356090 0.181170 0.693629
C 0.632958 2.742510 -0.339548
C -0.594906 2.800619 1.782141
C -3.284885 0.971915 0.688260
C 4.306377 -0.690856 -0.499633
C 3.435384 -1.298447 -1.445592
C 3.753463 0.052042 0.578425
C -3.064228 -2.083270 -0.333572
C 1.112706 4.045475 -0.099145
C -0.108105 4.104802 2.018864
C 0.748559 4.730373 1.084754
C -5.640859 1.278981 0.097490
C 6.761159 -0.375000 0.087579
C -6.596433 0.744845 -0.963993
C -3.829071 -4.070811 -1.494526
C 8.151039 -0.773803 -0.404025
H 1.368390 -1.639965 -2.045320
H 1.940307 0.734536 1.539869
H 0.909381 2.223582 -1.263582
H -1.274454 2.325464 2.494611
H 3.849594 -1.884766 -2.275628
H 4.419619 0.505867 1.313457
H 1.766221 4.527247 -0.834401
H -0.402590 4.630866 2.933286
H 1.125238 5.741884 1.272955
H 5.968149 -1.444235 -1.490404
H -5.598351 2.383197 0.118932
H -5.888869 0.919080 1.111886
H -7.624694 1.089979 -0.750605
H -6.311341 1.101086 -1.968853
H -6.589708 -0.358279 -0.966194
H -3.459019 -4.696652 -2.318284
H -3.911712 -4.649523 -0.558994
H -4.812457 -3.633212 -1.736658
H 8.665890 -1.333718 0.395739
H 8.739631 0.140561 -0.591430
H 8.146683 -1.388495 -1.320986


