%chk=000017978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017978

0 1
 O  -0.9794000      0.4280000     -5.0299998E-02
 O    1.010900      0.3521000       1.740100    
 O   0.4464000       1.976100     -0.9770000    
 N   -4.579200      0.9157000     -0.8434000    
 C   -3.358300      0.3279000     -0.2451000    
 C   -3.463600      0.3265000       1.293400    
 C   -4.715600     -0.3935000       1.777200    
 C   -5.947500      0.1828000       1.097300    
 C   -5.785200      0.1815000     -0.4210000    
 C   -2.082700       1.088000     -0.6360000    
 C   -4.526500      0.9506000      -2.307800    
 C    1.369000      0.1444000      0.3586000    
 C   0.2616000      0.9748000     -0.2954000    
 C    2.781400      0.6709000      9.2799999E-02
 C    1.268800      -1.344600      1.9600000E-02
 C    3.071700       1.176400      -1.153400    
 C    1.542900      -2.264300       1.005500    
 C    3.705800      0.6189000       1.110300    
 C   0.9082000      -1.706500      -1.258000    
 C    1.043500       1.727600       2.064500    
 C    4.358700       1.656500      -1.395700    
 C    1.451500      -3.621600      0.6968000    
 C    4.992900       1.099100      0.8679000    
 C   0.8168000      -3.063700      -1.566600    
 C    5.319300       1.617900     -0.3852000    
 C    1.088400      -4.021200     -0.5892000    
 H   -3.250600     -0.7164000     -0.5727000    
 H   -3.474200       1.358400       1.669400    
 H   -2.591800     -0.1641000       1.742300    
 H   -4.635200      -1.463900       1.551300    
 H   -4.807400     -0.2994000       2.864900    
 H   -6.831700     -0.4016000       1.376100    
 H   -6.117200       1.208100       1.449500    
 H   -6.676900      0.6536000     -0.8519000    
 H   -5.756700     -0.8532000     -0.7878000    
 H   -2.127100       2.127200     -0.2873000    
 H   -1.938300       1.081700      -1.721100    
 H   -4.319900     -3.6300000E-02  -2.736700    
 H   -5.476800       1.308900      -2.721300    
 H   -3.772100       1.658500      -2.663800    
 H    2.374000       1.165000      -1.982800    
 H    1.836100      -1.975600       2.009700    
 H    3.482900      0.2017000       2.087100    
 H   0.7048000     -0.9784000      -2.036500    
 H    1.730200       2.366200       1.501700    
 H   3.3399999E-02   2.146600       1.991400    
 H    1.324600       1.805200       3.120300    
 H    4.617800       2.046500      -2.375800    
 H    1.665300      -4.367300       1.456900    
 H    5.742600       1.064100       1.653000    
 H   0.5369000      -3.375300      -2.568700    
 H    6.322700       1.987500     -0.5753000    
 H    1.018400      -5.077900     -0.8300000    


%chk=000017978-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017978

0 1
O -0.944825 0.572957 -0.059541
O 1.476335 0.836000 2.025948
O 0.238843 2.563204 -0.181095
N -4.624944 0.958323 -0.709557
C -3.324539 0.275138 -0.431671
C -3.388195 -0.489315 0.913107
C -4.562810 -1.487570 0.950260
C -5.882045 -0.753966 0.631253
C -5.759558 -0.007025 -0.708685
C -2.194063 1.318691 -0.394998
C -4.624659 1.748344 -1.963333
C 1.409314 0.489255 0.570923
C 0.210959 1.325491 0.036564
C 2.743682 0.807202 -0.125636
C 1.117290 -1.022176 0.526221
C 2.868880 1.616858 -1.279306
C 0.650858 -1.710485 1.670367
C 3.910477 0.217178 0.430041
C 1.286564 -1.730610 -0.688598
C 1.935052 2.197007 2.358687
C 4.137807 1.825391 -1.870782
C 0.361437 -3.092312 1.599792
C 5.175056 0.434324 -0.152061
C 0.988449 -3.108125 -0.760763
C 5.293611 1.239256 -1.310972
C 0.523746 -3.795933 0.384667
H -3.087081 -0.462305 -1.245538
H -3.509793 0.252934 1.727843
H -2.425720 -1.006448 1.069972
H -4.394875 -2.288709 0.200803
H -4.614716 -1.979099 1.940023
H -6.729301 -1.464648 0.577340
H -6.105720 -0.022229 1.431418
H -6.685547 0.563605 -0.910647
H -5.646499 -0.759481 -1.535141
H -2.380647 2.081503 0.383091
H -2.029621 1.824581 -1.361056
H -4.327260 1.150500 -2.862416
H -5.642437 2.139254 -2.138121
H -3.950334 2.617892 -1.886225
H 1.989455 2.102744 -1.710220
H 0.527851 -1.159665 2.605987
H 3.812527 -0.412082 1.321904
H 1.661068 -1.208611 -1.576741
H 2.961089 2.376416 1.987718
H 1.257888 2.967037 1.946565
H 1.922516 2.226857 3.459703
H 4.220022 2.453606 -2.764891
H 0.007005 -3.617872 2.494060
H 6.065317 -0.026428 0.290550
H 1.123892 -3.645237 -1.706447
H 6.274895 1.405778 -1.769518
H 0.296905 -4.866893 0.330951


