%chk=000042679.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042679

0 1
 O   6.0800001E-02   1.825700       1.212500    
 N   -1.849900     -0.5715000     -0.1473000    
 C   0.5821000     -0.2335000     -9.1899998E-02
 C    1.980800     -0.5810000      0.5108000    
 C    2.695000      0.3668000     -0.4860000    
 C   0.5253000       1.324600     -2.9500000E-02
 C   0.7727000     -0.5724000      -1.598800    
 C    1.995900       1.727700     -0.2537000    
 C    2.226000     -0.1440000      -1.866700    
 C  -0.6118000     -0.9408000      0.5225000    
 C    2.171100     -0.1945000       1.993300    
 C    2.423800      -2.053000      0.4044000    
 C   -3.012400      -1.266700      0.4048000    
 C   -2.157100      0.8516000     -8.0000004E-03
 C   -4.182700     -0.4651000     -0.1458000    
 C   -3.619700      0.9261000     -0.4205000    
 H    3.782100      0.4208000     -0.3916000    
 H   1.3900000E-02   1.809200     -0.8606000    
 H   7.5400002E-02 -3.1700000E-02  -2.248600    
 H   0.6411000      -1.640700      -1.803800    
 H    2.419800       2.255700      0.6070000    
 H    2.109800       2.385600      -1.123200    
 H    2.826100     -0.9958000      -2.203600    
 H    2.286300      0.6270000      -2.642000    
 H  -0.6711000     -0.7286000       1.597700    
 H  -0.4721000      -2.025200      0.4294000    
 H    3.206000     -0.3862000       2.302000    
 H    1.979300      0.8517000       2.230900    
 H    1.520000     -0.7958000       2.637500    
 H    2.298900      -2.489600     -0.5888000    
 H    3.484300      -2.153500      0.6630000    
 H    1.851300      -2.681000       1.096700    
 H   0.1542000       2.793300       1.191200    
 H   -3.024300      -1.232200       1.501800    
 H   -3.056500      -2.313400      8.8100001E-02
 H   -1.702400       1.519300     -0.7248000    
 H   -2.100200       1.205900       1.025700    
 H   -5.015800     -0.4325000      0.5636000    
 H   -4.552200     -0.9066000      -1.078800    
 H   -3.722800       1.156600      -1.488200    
 H   -4.158400       1.697300      0.1400000    


%chk=000042679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042679

0 1
O 0.399981 2.039766 1.384539
N -1.901026 -0.464695 -0.060103
C 0.614947 -0.028218 -0.022999
C 2.012152 -0.594996 0.493579
C 2.839389 0.267001 -0.526290
C 0.822549 1.525219 0.062970
C 0.702675 -0.340063 -1.554366
C 2.355746 1.712810 -0.216186
C 2.223470 -0.137330 -1.899563
C -0.626464 -0.591521 0.689720
C 2.329104 -0.295516 1.980794
C 2.199722 -2.119926 0.290463
C -2.991614 -1.295207 0.518762
C -2.484999 0.902673 -0.139366
C -4.266096 -0.807973 -0.215568
C -3.928300 0.658834 -0.653341
H 3.934544 0.142768 -0.464541
H 0.215410 2.032482 -0.714569
H 0.038561 0.321090 -2.138219
H 0.360470 -1.369897 -1.753056
H 2.856691 2.112273 0.684507
H 2.555690 2.404526 -1.055146
H 2.678228 -1.064722 -2.291162
H 2.382919 0.648452 -2.660659
H -0.705980 -0.125446 1.702306
H -0.463937 -1.677429 0.837402
H 3.396445 -0.503699 2.191172
H 2.100346 0.741884 2.267615
H 1.728707 -0.952129 2.638633
H 1.999073 -2.462559 -0.738063
H 3.240411 -2.402528 0.540785
H 1.537250 -2.690812 0.968374
H 0.512290 3.023958 1.384291
H -3.096680 -1.121735 1.622198
H -2.784159 -2.369905 0.365150
H -1.896975 1.544209 -0.818428
H -2.496420 1.396729 0.864256
H -5.152548 -0.858367 0.440914
H -4.467288 -1.435191 -1.100942
H -3.968367 0.747375 -1.752841
H -4.633316 1.397415 -0.232321


