%chk=000041449.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041449

0 1
 O    3.263600      -1.673800      0.2731000    
 O    5.993700      -2.139100      0.7596000    
 O   -2.697800      0.2315000      0.6945000    
 O   -5.067900      -1.043800      -2.361300    
 N    5.049500       1.390300      0.1615000    
 C    5.585900      6.1999999E-02 -0.1025000    
 C    5.384900     -0.8855000       1.082400    
 C    5.303800       2.287000     -0.9580000    
 C    3.915300      -1.127900       1.419200    
 C    6.805100       2.424800      -1.195000    
 C    4.666500       3.644000     -0.6765000    
 C    1.938300      -1.402600      0.1263000    
 C  -0.7837000     -0.8454000     -0.1767000    
 C   -2.190000     -0.5572000     -0.3323000    
 C    1.380400      -1.322500      -1.149700    
 C    1.137400      -1.204700       1.251200    
 C   2.2000000E-02  -1.044400      -1.300900    
 C  -0.2211000     -0.9265000       1.099900    
 C   -4.891300      0.1770000     -0.3467000    
 C   -4.024400      0.5787000      0.6672000    
 C   -2.932900      -1.002700      -1.360000    
 C   -4.365900     -0.6562000      -1.437600    
 C   -6.234000      0.5609000     -0.3227000    
 C   -4.496700       1.369400       1.715000    
 C   -6.703700       1.351600      0.7265000    
 C   -5.837100       1.755200       1.743400    
 H    5.133500     -0.3677000      -1.005300    
 H    6.666000      8.2300000E-02 -0.2840000    
 H    5.902700     -0.4909000       1.964800    
 H    4.833800       1.888500      -1.866000    
 H    5.466100       1.765800       1.013300    
 H    3.467000     -0.1793000       1.739600    
 H    3.838500      -1.858300       2.233300    
 H    7.004800       3.255900      -1.881800    
 H    7.349400       2.636100     -0.2675000    
 H    7.239400       1.536100      -1.663400    
 H    3.587900       3.544200     -0.5109000    
 H    4.809400       4.322900      -1.524300    
 H    5.102800       4.117900      0.2101000    
 H    5.892200      -2.721400       1.531800    
 H    2.001000      -1.470900      -2.029300    
 H    1.525100      -1.289000       2.262100    
 H  -0.3701000     -0.9705000      -2.312000    
 H  -0.8217000     -0.7942000       1.996800    
 H   -2.545200      -1.632400      -2.152700    
 H   -6.922900      0.2562000      -1.105200    
 H   -3.828900       1.688000       2.510800    
 H   -7.746700       1.654100      0.7522000    
 H   -6.207100       2.370800       2.558300    


%chk=000041449-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041449

0 1
O 3.151436 -1.083672 0.183405
O 5.524187 -2.352334 0.888256
O -3.110476 0.108605 0.692217
O -5.399919 -1.167275 -2.568002
N 5.981705 1.363125 0.388867
C 5.958401 -0.064663 0.004321
C 5.344505 -0.916914 1.143491
C 6.032569 2.357388 -0.718895
C 3.867541 -0.584280 1.383519
C 7.310677 2.258575 -1.596686
C 5.875168 3.771431 -0.124414
C 1.768348 -0.910953 0.111223
C -1.046675 -0.660189 -0.234187
C -2.504412 -0.527603 -0.406594
C 1.143515 -1.425320 -1.055086
C 0.988091 -0.270379 1.106109
C -0.241703 -1.300407 -1.222170
C -0.403379 -0.151705 0.926266
C -5.320837 -0.101126 -0.388107
C -4.504673 0.315397 0.694030
C -3.259321 -0.948849 -1.484488
C -4.708696 -0.775334 -1.567686
C -6.716553 0.142297 -0.311228
C -5.039817 0.957828 1.830975
C -7.269366 0.780462 0.812258
C -6.427637 1.187907 1.883699
H 5.328403 -0.168369 -0.899874
H 6.954963 -0.498266 -0.234173
H 5.899068 -0.726964 2.081353
H 5.153302 2.148789 -1.362036
H 6.712146 1.558682 1.089800
H 3.744855 0.511337 1.474152
H 3.481987 -1.110078 2.277627
H 7.265877 2.971400 -2.441230
H 8.212030 2.495534 -0.998391
H 7.433514 1.243533 -2.016554
H 4.941909 3.843778 0.460372
H 5.854519 4.534859 -0.922643
H 6.723284 4.011296 0.547133
H 4.855994 -2.613842 0.201949
H 1.761967 -1.916701 -1.812039
H 1.449985 0.135049 2.010189
H -0.697753 -1.707853 -2.129478
H -1.006098 0.341621 1.693002
H -2.775627 -1.438096 -2.332248
H -7.331324 -0.185945 -1.155899
H -4.373009 1.261964 2.643017
H -8.347049 0.965489 0.866220
H -6.858723 1.685073 2.759255


