%chk=000178536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178536

0 1
 O   -4.902000      0.8183000     -0.2145000    
 O   -3.867500       2.836700     -0.5463000    
 N   -2.662300      0.8884000     -0.1390000    
 N    3.076000      -2.272000     -0.7614000    
 N    3.220800       3.447800      0.4588000    
 C   -2.975400     -0.5034000     -5.7399999E-02
 C   -2.157800      -1.242200      0.9835000    
 C  -0.7870000      -1.575700      0.4952000    
 C    1.548900     -0.9879000      0.2366000    
 C   -4.459400     -0.4707000      0.2449000    
 C    2.807300     -0.3247000      0.2695000    
 C    1.745100      -2.207200     -0.4155000    
 C   0.2576000     -0.6670000      0.7005000    
 C    3.088500      0.9992000      0.8609000    
 C  -0.5617000      -2.785400     -0.1588000    
 C   0.7104000      -3.125300     -0.6277000    
 C    3.726100      -1.138800     -0.3519000    
 C    2.909500       2.154700     -0.1408000    
 C   -3.805000       1.637100     -0.3172000    
 C    3.088000       4.518100     -0.5192000    
 H   -2.820100     -0.9187000      -1.061400    
 H   -2.666300      -2.176900       1.256500    
 H   -2.092400     -0.6640000       1.915100    
 H   -5.005100      -1.257500     -0.2847000    
 H   -4.684500     -0.5415000       1.314700    
 H   7.9800002E-02  0.2750000       1.212100    
 H   -1.725400       1.265600     -0.2422000    
 H    2.439200       1.165500       1.730100    
 H    4.116500       1.011600       1.247500    
 H   -1.379400      -3.485200     -0.3168000    
 H   0.8847000      -4.066900      -1.137500    
 H    4.783500      -1.015000     -0.5405000    
 H    3.509600      -3.044600      -1.247700    
 H    1.873800       2.154900     -0.5039000    
 H    3.558100       1.978500      -1.008800    
 H    4.174400       3.436100      0.8192000    
 H    3.315100       5.476900     -4.2599998E-02
 H    2.065400       4.577800     -0.9059000    
 H    3.781000       4.386900      -1.356700    


%chk=000178536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178536

0 1
O -4.604996 1.236796 -0.301702
O -3.230298 2.781842 -1.428498
N -2.432655 0.673388 -0.667208
N 3.125865 -2.470065 -0.855718
N 3.032546 3.383427 0.579680
C -2.973610 -0.558095 -0.072600
C -2.087342 -1.127679 1.065668
C -0.709734 -1.547737 0.570535
C 1.664666 -1.068621 0.199912
C -4.360999 -0.041602 0.419358
C 2.974961 -0.436282 0.192070
C 1.789729 -2.340838 -0.463812
C 0.398912 -0.685972 0.718453
C 3.320131 0.918573 0.758383
C -0.548166 -2.804817 -0.096740
C 0.693779 -3.218312 -0.615301
C 3.833407 -1.323188 -0.457870
C 2.765885 2.094540 -0.087318
C -3.366015 1.679927 -0.868751
C 2.463166 4.560957 -0.103081
H -3.097279 -1.338087 -0.852510
H -2.621692 -1.990546 1.510523
H -1.998283 -0.352605 1.850101
H -5.189453 -0.724661 0.177967
H -4.348455 0.175294 1.503778
H 0.282366 0.268444 1.246531
H -1.485456 0.742810 -1.034273
H 2.915947 1.029417 1.783263
H 4.420934 1.022623 0.839335
H -1.415424 -3.469966 -0.194291
H 0.797969 -4.189377 -1.111998
H 4.897456 -1.222077 -0.665527
H 3.525185 -3.269682 -1.341463
H 1.668350 1.987461 -0.191978
H 3.189107 2.031402 -1.122201
H 4.034067 3.502009 0.784534
H 2.722217 5.477128 0.456737
H 1.360374 4.480771 -0.116568
H 2.800838 4.691901 -1.160720


