%chk=000041511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041511

0 1
 O   -1.563100       2.101600      0.2715000    
 O   -1.738500      -2.532400      0.6207000    
 O    4.384000     -0.4550000      0.1484000    
 N   -1.188800     -0.2317000      0.4405000    
 C   -3.345700      0.5605000      0.8259000    
 C   -3.435900     -0.8622000      0.2833000    
 C   -4.431300       1.519200      0.3455000    
 C   -3.795400     -0.9653000      -1.207600    
 C   -1.925500      0.9514000      0.4708000    
 C   -2.017900      -1.350200      0.4781000    
 C   -4.936300       1.251300      -1.036200    
 C   -4.650900      0.1437000      -1.728900    
 C   0.2386000     -0.2888000      0.3664000    
 C    1.011500      0.7325000      0.9235000    
 C   0.8650000      -1.365800     -0.2650000    
 C    2.403300      0.6771000      0.8496000    
 C    2.256800      -1.421300     -0.3388000    
 C    3.026000     -0.3999000      0.2186000    
 C    5.083200      0.7881000      0.1051000    
 C    6.357500      0.6352000     -0.5976000    
 C    7.403300      0.5119000      -1.173900    
 H   -3.367800      0.5400000       1.925600    
 H   -4.126700      -1.456300      0.8920000    
 H   -4.077900       2.555200      0.3978000    
 H   -5.290900       1.448400       1.024000    
 H   -4.319100      -1.916200      -1.368800    
 H   -2.893900      -1.015300      -1.832100    
 H   -5.577900       2.003200      -1.487200    
 H   -5.054600      3.2000002E-02  -2.731300    
 H   0.5609000       1.567600       1.451700    
 H   0.2980000      -2.163300     -0.7358000    
 H    2.965000       1.475700       1.325000    
 H    2.736500      -2.259300     -0.8371000    
 H    4.504600       1.554700     -0.4265000    
 H    5.267900       1.126900       1.131000    
 H    8.331100      0.4025000      -1.685300    


%chk=000041511-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041511

0 1
O -1.542794 2.205550 0.250307
O -1.577906 -2.504448 0.441793
O 4.449590 -0.323166 -0.421822
N -1.171450 -0.152686 0.320691
C -3.388894 0.614023 0.801990
C -3.455131 -0.866885 0.343906
C -4.502995 1.576123 0.322294
C -3.965617 -1.037923 -1.121755
C -1.963711 1.037566 0.413756
C -1.996855 -1.324969 0.402963
C -5.385391 1.020260 -0.776016
C -5.158979 -0.152784 -1.418902
C 0.259997 -0.170556 0.151629
C 1.057762 0.843569 0.728503
C 0.876999 -1.205015 -0.600641
C 2.458554 0.835238 0.559955
C 2.270815 -1.221361 -0.763593
C 3.068521 -0.202760 -0.186684
C 5.311862 0.722933 0.172594
C 6.706496 0.434239 -0.167730
C 7.892368 0.232031 -0.428739
H -3.385596 0.616214 1.912242
H -4.074968 -1.484437 1.013254
H -4.024982 2.518494 -0.016303
H -5.143255 1.865003 1.178291
H -4.209375 -2.102304 -1.289804
H -3.148195 -0.796160 -1.834320
H -6.256250 1.630467 -1.050723
H -5.840676 -0.481085 -2.214169
H 0.590994 1.653885 1.292625
H 0.273306 -2.002555 -1.037987
H 3.044780 1.639550 1.013227
H 2.762497 -2.013738 -1.334982
H 5.018387 1.716825 -0.224885
H 5.180424 0.731506 1.274685
H 8.924766 0.045055 -0.662748


