%chk=000076368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076368

0 1
 O    2.650600       3.047000      8.9500003E-02
 N   -2.904300     -3.1700000E-02  0.4732000    
 N  -0.8320000      -1.825600      0.2203000    
 C   -4.017700      0.8887000      0.6073000    
 C   -4.362300       1.499100     -0.7550000    
 C   -5.222700      0.1708000       1.222800    
 C   -5.011200      0.4939000      -1.706600    
 C   -5.868600     -0.8298000      0.2641000    
 C   -6.221500     -0.1831000      -1.071500    
 C   -1.559100      0.4055000      0.3685000    
 C  -0.5284000     -0.5199000      0.2417000    
 C   0.8037000     -5.1199999E-02  0.1397000    
 C    1.040400       1.336600      0.1702000    
 C    1.855600     -0.9902000      1.0400000E-02
 C   -1.311900       1.777300      0.3976000    
 C  -1.0400000E-02   2.248400      0.2984000    
 C    3.256200     -0.5112000     -9.7700000E-02
 C    3.534800      0.8700000     -7.1400002E-02
 C    2.426000       1.843200      6.4400002E-02
 C    1.511700      -2.347100     -8.9999996E-03
 C   0.1800000      -2.704900      9.7000003E-02
 C    4.359200      -1.377300     -0.2293000    
 C    4.846500       1.359300     -0.1713000    
 C  -0.1936000      -4.149900      7.6300003E-02
 C    5.667900     -0.8924000     -0.3293000    
 C    5.911100      0.4745000     -0.3004000    
 H   -3.769100       1.683400       1.320600    
 H   -3.487400       1.931100      -1.251100    
 H   -5.065000       2.327800     -0.5964000    
 H   -5.975100      0.9177000       1.507500    
 H   -4.928500     -0.3485000       2.143200    
 H   -4.277000     -0.2666000      -1.999200    
 H   -5.319000       1.006000      -2.625500    
 H   -6.776400      -1.238700      0.7226000    
 H   -5.195100      -1.678100      9.4300002E-02
 H   -7.015400      0.5583000     -0.9189000    
 H   -6.620700     -0.9415000      -1.754500    
 H   -3.074400      -1.026900      0.3835000    
 H   -2.084600       2.530600      0.4980000    
 H   0.1661000       3.319900      0.3231000    
 H    2.255300      -3.130700     -0.1049000    
 H    4.236200      -2.456200     -0.2584000    
 H    5.055500       2.425500     -0.1505000    
 H   0.2806000      -4.677800      0.9098000    
 H   -1.277300      -4.277600      0.1690000    
 H   0.1210000      -4.611000     -0.8653000    
 H    6.495600      -1.588800     -0.4299000    
 H    6.926900      0.8501000     -0.3780000    


%chk=000076368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076368

0 1
O 2.869407 3.176698 0.092121
N -2.866295 0.140981 0.507835
N -0.914361 -1.673355 0.226149
C -4.103014 0.932190 0.636908
C -4.550213 1.543892 -0.724920
C -5.226018 0.037152 1.221697
C -5.015367 0.457712 -1.722034
C -5.706681 -1.045811 0.223414
C -6.143632 -0.414937 -1.120803
C -1.595677 0.635679 0.393306
C -0.526659 -0.349906 0.249743
C 0.836683 0.077634 0.143261
C 1.152359 1.477181 0.176205
C 1.851539 -0.938765 0.005975
C -1.249832 2.015177 0.415594
C 0.096957 2.410058 0.313242
C 3.265369 -0.521478 -0.103810
C 3.594972 0.871995 -0.072476
C 2.545885 1.936509 0.068571
C 1.426289 -2.280401 -0.014492
C 0.043956 -2.622631 0.096303
C 4.324603 -1.462911 -0.240619
C 4.947942 1.283993 -0.176689
C -0.398875 -4.070804 0.072488
C 5.662967 -1.042783 -0.343125
C 5.980017 0.339715 -0.311294
H -3.904211 1.759096 1.349632
H -3.722621 2.134476 -1.160503
H -5.384011 2.248033 -0.525850
H -6.081846 0.692625 1.476377
H -4.878758 -0.424340 2.166024
H -4.153466 -0.186576 -1.988601
H -5.358197 0.934136 -2.660090
H -6.543448 -1.613488 0.673058
H -4.899940 -1.784560 0.034616
H -7.042101 0.214542 -0.951592
H -6.437541 -1.207011 -1.835882
H -2.908461 -0.886671 0.468764
H -2.030286 2.774626 0.515932
H 0.366637 3.471578 0.335081
H 2.146157 -3.097636 -0.116039
H 4.106904 -2.535213 -0.267304
H 5.148872 2.359675 -0.147836
H 0.056305 -4.643158 0.902521
H -1.494394 -4.128046 0.166346
H -0.098863 -4.567017 -0.869526
H 6.460803 -1.786314 -0.447533
H 7.022347 0.666466 -0.391243


