%chk=000126100.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126100

0 1
 O    4.529500      -1.517700     -0.5923000    
 O    4.165000      -1.531000       2.407800    
 O    6.394400      -3.487200      -1.314800    
 O    2.312000       4.368300      0.1468000    
 N    2.629500     -0.1182000     -0.3061000    
 N   0.3218000     -0.5896000     -0.2642000    
 N    1.240800       1.630600     -8.1299998E-02
 N    4.719400       1.125100     -0.2657000    
 N    4.454000       3.499600     -2.3700001E-02
 N    6.579300       2.495400     -0.2047000    
 C    3.098600      -1.497800     -0.4605000    
 C    2.720400      -2.410300      0.7033000    
 C    4.019700      -2.582900       1.458500    
 C    5.080700      -2.424400      0.3806000    
 C    5.409300      -3.734400     -0.3249000    
 C    3.390500      0.9976000     -0.2262000    
 C    1.366000      0.3533000     -0.2115000    
 C    2.539600       2.055300     -9.0000004E-02
 C   -1.082300     -0.4648000     -0.1991000    
 C   -3.872400     -0.2166000     -6.9899999E-02
 C   -5.282300     -9.1100000E-02 -4.4999998E-03
 C   -3.055600      0.9352000      1.2600000E-02
 C   -3.282600      -1.493500     -0.2177000    
 C   -1.661800      0.7944000     -5.3599998E-02
 C   -1.885500      -1.601100     -0.2808000    
 C    3.057600       3.404300      2.1500001E-02
 C   -6.099100      -1.242900     -8.7099999E-02
 C   -5.872200       1.185900      0.1435000    
 C    5.209800       2.425100     -0.1580000    
 C   -3.657800       2.192100      0.1590000    
 C   -4.107700      -2.623300     -0.2979000    
 C   -5.496900      -2.499600     -0.2335000    
 C   -5.047100       2.315700      0.2237000    
 C   -7.492900      -1.102100     -2.0900000E-02
 C   -7.269200       1.293300      0.2067000    
 C   -8.072500      0.1572000      0.1249000    
 H    2.667600      -1.853400      -1.403700    
 H    2.403800      -3.380100      0.3010000    
 H    1.918600      -2.029000       1.341700    
 H    4.074800      -3.531600       2.000400    
 H    6.000300      -1.963900      0.7584000    
 H    4.531900      -4.151100     -0.8297000    
 H    5.802000      -4.470500      0.3833000    
 H    5.024300      -1.651300       2.847000    
 H   0.5872000      -1.560500     -0.4128000    
 H    5.356900      0.3432000     -0.3697000    
 H   -1.064400       1.696700      1.2800000E-02
 H   -1.423900      -2.580900     -0.3941000    
 H    6.588600      -4.337800      -1.744300    
 H   -3.050600       3.092700      0.2248000    
 H   -3.676600      -3.615900     -0.4117000    
 H   -6.104900      -3.399700     -0.2993000    
 H   -5.478400       3.308200      0.3377000    
 H   -8.141100      -1.973800     -8.2400002E-02
 H   -7.745300       2.265000      0.3203000    
 H   -9.153300      0.2533000      0.1749000    
 H    7.148700       1.662500     -0.3071000    
 H    7.061700       3.384900     -0.1365000    


%chk=000126100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126100

0 1
O 4.392973 -1.899574 -0.935226
O 4.126792 -3.594163 2.312606
O 7.112773 -1.324377 -0.310421
O 2.407049 4.172096 0.226628
N 2.545551 -0.473152 -0.397967
N 0.143215 -0.876719 -0.275072
N 1.176314 1.336565 -0.021326
N 4.737455 0.782689 -0.408427
N 4.524772 3.148062 0.078900
N 6.640816 2.137078 -0.157153
C 2.947807 -1.869452 -0.696916
C 2.689326 -2.860850 0.483995
C 4.092432 -3.409609 0.865509
C 5.027582 -2.286309 0.356359
C 6.474882 -2.611845 0.043862
C 3.358798 0.670332 -0.326420
C 1.212832 0.012794 -0.216093
C 2.520298 1.764654 -0.084415
C -1.241991 -0.571402 -0.194327
C -4.051776 -0.108574 -0.054848
C -5.464858 0.129121 0.015945
C -3.120752 0.989244 0.029025
C -3.546787 -1.451284 -0.209816
C -1.724421 0.752079 -0.039064
C -2.149162 -1.660434 -0.277093
C 3.085713 3.118125 0.077658
C -6.390727 -0.974695 -0.067994
C -5.963316 1.474503 0.171819
C 5.255189 2.067444 -0.149849
C -3.647316 2.330318 0.186136
C -4.496651 -2.542845 -0.291767
C -5.859086 -2.313051 -0.223727
C -5.009596 2.561417 0.254060
C -7.786036 -0.716212 0.004433
C -7.366852 1.687953 0.239632
C -8.266171 0.602881 0.156690
H 2.472581 -2.183940 -1.644029
H 1.999278 -3.675103 0.208460
H 2.285828 -2.330800 1.363776
H 4.309240 -4.355351 0.325218
H 4.983058 -1.441007 1.074862
H 6.525244 -3.324861 -0.802973
H 6.969877 -3.050557 0.934760
H 4.874818 -4.189503 2.568012
H 0.364453 -1.868924 -0.351287
H 5.330730 0.014847 -0.741127
H -1.008575 1.575500 0.031443
H -1.769888 -2.685043 -0.397095
H 7.942230 -1.492473 -0.821695
H -2.935904 3.161241 0.250386
H -4.112572 -3.563506 -0.409448
H -6.565898 -3.149217 -0.287205
H -5.391999 3.582120 0.372687
H -8.490616 -1.554046 -0.058941
H -7.747237 2.709470 0.357812
H -9.344949 0.785849 0.210862
H 7.207018 1.295828 -0.059101
H 7.044110 3.053567 0.020288


