%chk=000056467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056467

0 1
 O   -5.660100       1.097600      0.1496000    
 O   -2.245800      -1.757400     -0.3783000    
 N  -0.3311000      0.2070000     -0.5934000    
 N   -1.686500      0.4816000     -0.4225000    
 N   -4.284000       1.092400     -4.3499999E-02
 C    6.110800     -8.1400000E-02 -0.2171000    
 C    4.646900      0.1360000     -3.4899998E-02
 C    1.908000      0.5427000      0.3053000    
 C    4.043800       1.285600     -0.5452000    
 C    3.880600     -0.8102000      0.6455000    
 C    6.420400      -1.340700      -1.048700    
 C    6.868900     -0.1414000       1.122700    
 C    2.674400       1.489000     -0.3750000    
 C    2.511100     -0.6069000      0.8156000    
 C   0.4442000      0.7604000      0.4878000    
 C   -2.581600     -0.5746000     -0.3235000    
 C   -3.985700     -0.1896000     -0.1172000    
 C   -5.064300      -1.046500      1.2400000E-02
 C   -6.113200     -0.1817000      0.1811000    
 C   -7.556700     -0.3619000      0.3791000    
 H    6.529200      0.7687000     -0.7730000    
 H    4.625800       2.032700      -1.078200    
 H    4.329300      -1.712800       1.050700    
 H    6.108200      -2.257100     -0.5363000    
 H    7.495700      -1.417400      -1.243200    
 H    5.905500      -1.304700      -2.015300    
 H    6.677000      0.7578000       1.718700    
 H    7.948600     -0.2061000      0.9501000    
 H    6.574400      -1.010000       1.721600    
 H    2.216400       2.388200     -0.7788000    
 H    1.925000      -1.352700       1.346200    
 H   0.1329000      0.3163000       1.443200    
 H   0.2544000       1.838000      0.5903000    
 H  -6.0800001E-02  0.6427000      -1.475000    
 H   -1.980100       1.453000     -0.3819000    
 H   -5.101200      -2.125500     -9.3999999E-03
 H   -8.118900      0.1211000     -0.4260000    
 H   -7.824700      -1.423000      0.3901000    
 H   -7.872400      7.7000000E-02   1.330600    


%chk=000056467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056467

0 1
O -5.860718 0.866997 -0.325767
O -2.040067 -1.636389 0.442974
N -0.322919 0.313548 -0.784668
N -1.719130 0.412462 -0.696480
N -4.415765 0.930861 -0.546427
C 6.196133 -0.170011 0.013544
C 4.709748 0.198251 0.008986
C 1.930976 0.900880 0.010235
C 4.293799 1.532755 -0.219931
C 3.705155 -0.782309 0.233568
C 6.538126 -1.189256 -1.106007
C 6.647259 -0.701990 1.400376
C 2.922800 1.881245 -0.224119
C 2.338346 -0.440134 0.235686
C 0.453583 1.266705 0.044546
C -2.476747 -0.567774 -0.064335
C -3.946670 -0.235312 -0.037099
C -4.988281 -1.062036 0.504570
C -6.162007 -0.354344 0.311697
C -7.602060 -0.600482 0.621682
H 6.769478 0.756929 -0.191847
H 5.050273 2.306884 -0.400293
H 3.993766 -1.825418 0.411830
H 6.004745 -2.145267 -0.949874
H 7.622662 -1.405911 -1.116403
H 6.251402 -0.801593 -2.100137
H 6.439348 0.034520 2.197242
H 7.731997 -0.917986 1.400035
H 6.116783 -1.637257 1.658802
H 2.626370 2.921712 -0.408385
H 1.568103 -1.201767 0.401107
H 0.059551 1.182310 1.075300
H 0.321623 2.329518 -0.270737
H 0.012547 0.202638 -1.748632
H -2.219114 1.252607 -1.028633
H -4.849549 -2.036187 0.963796
H -8.213259 -0.594908 -0.298553
H -7.720660 -1.578470 1.113969
H -8.003229 0.180178 1.292582


