%chk=000043309.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043309

0 1
 O    3.548700      -2.179800      0.1008000    
 O    2.878700       2.562200      0.1580000    
 O    4.591300      0.3863000      9.7199999E-02
 O   -3.656400      -1.837300     -0.7573000    
 N   -3.905400      0.4812000     -0.7731000    
 C   0.5071000     -0.1918000      0.1922000    
 C  -0.9596000     -0.3995000      0.2265000    
 C   -1.711600     -0.4925000     -0.8940000    
 C    1.001500       1.098000      0.1908000    
 C    1.339500      -1.294000      0.1626000    
 C    2.720400      -1.098600      0.1305000    
 C    2.382300       1.293500      0.1586000    
 C    3.241800      0.1952000      0.1285000    
 C   -1.516000     -0.5238000       1.622400    
 C   -1.195900     -0.4146000      -2.302000    
 C   -3.192200     -0.7027000     -0.8162000    
 C   -5.344000      0.5312000     -0.6484000    
 C    3.974200      -2.704900       1.356700    
 C    1.932100       3.628500      0.1899000    
 C    5.200900      0.4876000      -1.187600    
 C   -5.750000      0.5715000      0.7561000    
 C   -6.087400      0.6043000       1.907900    
 H   0.2837000       1.911000      0.2154000    
 H   0.9370000      -2.303900      0.1630000    
 H   -2.590000     -0.7266000       1.648300    
 H   -1.349100      0.4031000       2.182500    
 H   -1.025000      -1.342700       2.160300    
 H   -1.644000      0.4390000      -2.821900    
 H   -1.459400      -1.325500      -2.850300    
 H  -0.1106000     -0.3013000      -2.365600    
 H   -3.403900       1.364700     -0.8035000    
 H   -5.683900       1.428800      -1.174200    
 H   -5.777800     -0.3413000      -1.148000    
 H    4.632800      -3.556700       1.166500    
 H    3.114000      -3.050400       1.938900    
 H    4.531600      -1.950700       1.921000    
 H    1.345200       3.620200       1.114700    
 H    1.301200       3.635500     -0.7056000    
 H    2.501100       4.564100      0.1840000    
 H    4.797100       1.342200      -1.739700    
 H    5.050200     -0.4336000      -1.759300    
 H    6.274600      0.6390000      -1.046300    
 H   -6.386000      0.6333000       2.929700    


%chk=000043309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043309

0 1
O 3.307749 -2.385063 -0.366252
O 3.155399 2.404621 0.539903
O 4.658870 0.098714 0.100989
O -3.882267 -2.119653 -0.896168
N -4.086208 0.186922 -0.668026
C 0.394847 -0.133364 0.102086
C -1.104351 -0.227170 0.148646
C -1.834111 -0.790231 -0.870663
C 1.035832 1.113929 0.332180
C 1.192597 -1.284158 -0.091486
C 2.604531 -1.198135 -0.094656
C 2.444909 1.208942 0.326564
C 3.251745 0.054118 0.090593
C -1.717449 0.275867 1.453011
C -1.264629 -1.355857 -2.161909
C -3.334262 -0.978177 -0.786251
C -5.556626 0.152274 -0.568338
C 4.345618 -2.792684 0.607138
C 2.379331 3.606243 0.853746
C 5.290719 0.952184 -0.930083
C -6.067437 0.840000 0.634044
C -6.501395 1.431523 1.625112
H 0.426966 2.006946 0.499763
H 0.737954 -2.268906 -0.229918
H -2.799623 0.085914 1.521404
H -1.550408 1.362753 1.589330
H -1.225389 -0.222813 2.308840
H -1.820153 -0.961276 -3.034206
H -1.386861 -2.454771 -2.183404
H -0.197869 -1.116172 -2.285704
H -3.604191 1.085090 -0.609602
H -6.017205 0.598717 -1.471844
H -5.830326 -0.920202 -0.555762
H 4.772047 -3.720377 0.195911
H 3.881433 -2.997195 1.591494
H 5.119437 -2.014178 0.705563
H 1.781000 3.466417 1.774651
H 1.712671 3.888818 0.015661
H 3.127672 4.396239 1.014515
H 5.019080 2.009747 -0.775830
H 4.988522 0.618428 -1.940783
H 6.373862 0.809577 -0.795102
H -6.883229 1.934599 2.494842


