%chk=000118843.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118843

0 1
 O   -6.951400       2.013300     -0.1940000    
 O   -6.129300      -1.088700       1.876100    
 O   -3.063600      5.0299998E-02 -0.1854000    
 O   -1.903200      -1.442300      -1.506700    
 N   -6.760500     -0.3594000     -0.3033000    
 C   -5.456300      0.2271000      3.6800001E-02
 C   -5.590100       1.655400     -0.4585000    
 C   -5.406600      0.1065000       1.559900    
 C   -4.300600     -0.5123000     -0.6346000    
 C   -7.683300      0.7770000     -0.1791000    
 C   -6.958100      -1.366300      0.7409000    
 C   -1.935700     -0.5168000     -0.7075000    
 C  -0.7233000      0.1641000     -0.1117000    
 C   0.5988000     -0.4577000     -0.5612000    
 C    1.814700      0.2504000      4.4399999E-02
 C    3.121600     -0.3763000     -0.4459000    
 C    4.338300      0.3511000      0.1308000    
 C    5.643500     -0.2567000     -0.3868000    
 C    6.897100      0.3724000      0.2288000    
 C    8.234900     -0.2519000     -0.1836000    
 C    9.442200      0.3818000      0.5118000    
 C    10.78220     -0.1824000      3.1800002E-02
 C    11.98870      0.4617000      0.6970000    
 H   -5.426500       1.745400      -1.538800    
 H   -4.928000       2.356000      5.9300002E-02
 H   -5.907800      0.9376000       2.069900    
 H   -4.395700      2.5300000E-02   1.969600    
 H   -4.365200     -0.4252000      -1.726600    
 H   -4.314400      -1.578000     -0.3729000    
 H   -8.275000      0.7662000      0.7435000    
 H   -8.379700      0.7822000      -1.023700    
 H   -6.655600      -2.347400      0.3574000    
 H   -8.001200      -1.462900       1.062300    
 H  -0.8002000      9.9600002E-02  0.9797000    
 H  -0.7517000       1.219300     -0.4062000    
 H    1.765300      0.1946000       1.138400    
 H    1.791000       1.312600     -0.2277000    
 H    3.153100      -1.434100     -0.1580000    
 H    3.158300     -0.3379000      -1.541500    
 H   0.6159000      -1.519100     -0.2832000    
 H   0.6623000     -0.4220000      -1.656200    
 H    4.313700      0.2922000       1.225600    
 H    4.299900       1.413700     -0.1374000    
 H    5.689000     -0.1526000      -1.477700    
 H    5.649600      -1.332600     -0.1716000    
 H    6.913300       1.440400     -2.2900000E-02
 H    6.813100      0.3153000       1.321700    
 H    8.348900     -0.1561000      -1.270300    
 H    8.215100      -1.325700      3.9000001E-02
 H    9.354000      0.2348000       1.595200    
 H    9.429200       1.464800      0.3373000    
 H    10.86480     -4.6999998E-02  -1.053300    
 H    10.80810      -1.262400      0.2197000    
 H    11.96050      0.3150000       1.781300    
 H    12.01660       1.537400      0.4965000    
 H    12.91450      1.9300001E-02  0.3165000    


%chk=000118843-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118843

0 1
O -6.673982 2.114484 -0.639746
O -6.835629 -0.989806 1.745319
O -3.117302 -0.240368 0.196741
O -1.968701 -1.885037 -0.985144
N -6.827512 -0.252131 -0.498440
C -5.504377 0.159160 0.126910
C -5.309153 1.635028 -0.344070
C -5.783750 0.041787 1.650299
C -4.398819 -0.783442 -0.349546
C -7.293748 0.916001 -1.269584
C -7.722595 -0.709407 0.618355
C -1.948793 -0.909981 -0.202242
C -0.725077 -0.293924 0.454706
C 0.589437 -0.662269 -0.263076
C 1.834595 -0.110535 0.464521
C 3.152450 -0.462228 -0.261688
C 4.411326 0.092319 0.442049
C 5.723014 -0.262673 -0.293849
C 6.986996 0.306402 0.389068
C 8.294216 -0.052684 -0.353092
C 9.561133 0.528399 0.314217
C 10.865607 0.165852 -0.432039
C 12.127286 0.755409 0.234775
H -4.677269 1.677180 -1.255341
H -4.888056 2.292440 0.430659
H -6.155803 1.007253 2.050746
H -4.921204 -0.312480 2.233646
H -4.341576 -0.818229 -1.451661
H -4.551386 -1.809177 0.029167
H -8.388350 1.038353 -1.234202
H -6.943605 0.845828 -2.318743
H -8.237029 -1.653548 0.380193
H -8.461151 0.084945 0.879961
H -0.695948 -0.650776 1.505144
H -0.865569 0.801367 0.511303
H 1.868306 -0.512170 1.499223
H 1.753684 0.992744 0.560670
H 3.237702 -1.565385 -0.350049
H 3.112686 -0.070726 -1.299731
H 0.658336 -1.762931 -0.350388
H 0.562533 -0.273503 -1.300081
H 4.455710 -0.298458 1.480282
H 4.327252 1.196105 0.528715
H 5.670208 0.115261 -1.336544
H 5.813087 -1.366728 -0.369060
H 6.898614 1.410870 0.461512
H 7.042437 -0.069435 1.432318
H 8.232223 0.313043 -1.399707
H 8.387618 -1.157323 -0.416219
H 9.626140 0.164503 1.361223
H 9.470505 1.633421 0.375241
H 10.796888 0.525415 -1.479275
H 10.957031 -0.938266 -0.488812
H 12.235449 0.387818 1.272863
H 12.074226 1.859939 0.275275
H 13.044888 0.481293 -0.317874


