%chk=000041593.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041593

0 1
 O    1.696300      0.7397000      0.1303000    
 O   -6.007700      0.3027000     -0.4955000    
 O   0.3543000      -1.092600     -0.1376000    
 N    5.284400     -7.6200001E-02  0.3451000    
 N  -0.5193000       1.075300     -5.7000001E-03
 C    5.661500     -0.4891000      -1.014000    
 C    6.384600      0.6383000       1.007700    
 C    6.890200      -1.399600     -0.9931000    
 C    7.637000     -0.2356000       1.094900    
 C    8.062400     -0.7333000     -0.2817000    
 C    4.081300      0.7549000      0.3119000    
 C    2.839500     -0.1053000      0.1399000    
 C   0.4786000      0.1201000     -1.7899999E-02
 C   -1.913700      0.8790000     -0.1287000    
 C   -4.665400      0.4915000     -0.3737000    
 C   -2.777900       1.973300     -9.3699999E-02
 C   -2.425400     -0.4091000     -0.2864000    
 C   -6.536800     -0.9301000     -9.4999997E-03
 C   -7.971300     -0.7050000      0.4433000    
 C   -4.153900       1.779600     -0.2162000    
 C   -3.801200     -0.6028000     -0.4088000    
 C   -8.597300      -1.975800      0.9891000    
 H    5.867800      0.3859000      -1.644900    
 H    4.853200      -1.049900      -1.494200    
 H    6.092300      0.9097000       2.029500    
 H    6.620200       1.570000      0.4766000    
 H    6.641700      -2.340600     -0.4859000    
 H    7.178900      -1.655900      -2.018800    
 H    8.454700      0.3338000       1.550900    
 H    7.441000      -1.094400       1.749500    
 H    8.895000      -1.438800     -0.1863000    
 H    8.422200      0.1117000     -0.8815000    
 H    4.131700       1.531700     -0.4625000    
 H    3.962900       1.298000       1.259700    
 H    2.755700     -0.8178000      0.9700000    
 H    2.863700     -0.6605000     -0.8033000    
 H  -0.2171000       2.040000      0.1054000    
 H   -6.507800      -1.673300     -0.8147000    
 H   -5.966000      -1.301500      0.8516000    
 H   -2.392300       2.982200      2.8400000E-02
 H   -1.817500      -1.302100     -0.3296000    
 H   -8.566900     -0.3269000     -0.3963000    
 H   -7.997100      8.0300003E-02   1.208400    
 H   -4.822300       2.635800     -0.1884000    
 H   -4.157000      -1.618000     -0.5583000    
 H   -9.628300      -1.785900       1.303300    
 H   -8.041500      -2.346700       1.856100    
 H   -8.613700      -2.763000      0.2286000    


%chk=000041593-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041593

0 1
O 1.771630 0.750372 0.211443
O -6.103981 0.415529 0.138897
O 0.431559 -1.188602 0.302751
N 5.445592 0.050511 0.184670
N -0.471519 1.001421 0.158587
C 5.789423 -0.514288 -1.146369
C 6.588809 0.796542 0.769721
C 6.995706 -1.470059 -1.051009
C 7.818601 -0.120368 0.929834
C 8.212881 -0.752409 -0.424840
C 4.185174 0.828983 0.168767
C 2.980106 -0.111193 0.302829
C 0.540293 0.061694 0.231004
C -1.877251 0.769528 0.155481
C -4.699764 0.457894 0.148471
C -2.730596 1.903532 0.065429
C -2.450565 -0.522799 0.240120
C -6.750228 -0.906382 0.223093
C -8.262167 -0.670290 0.193126
C -4.126251 1.751005 0.062105
C -3.854760 -0.675282 0.236199
C -9.049147 -1.997509 0.257218
H 6.027719 0.306977 -1.874961
H 4.911908 -1.056495 -1.543561
H 6.279135 1.189510 1.756040
H 6.871191 1.676918 0.131837
H 6.713671 -2.338673 -0.425275
H 7.243095 -1.849887 -2.061056
H 8.660427 0.463895 1.349021
H 7.570328 -0.920973 1.653189
H 9.054130 -1.458752 -0.292796
H 8.564282 0.044275 -1.113528
H 4.071917 1.446782 -0.755010
H 4.182950 1.526356 1.026302
H 2.989006 -0.632868 1.275221
H 2.941178 -0.869082 -0.499434
H -0.155411 1.971879 0.105295
H -6.429948 -1.534683 -0.635140
H -6.445624 -1.412323 1.163860
H -2.299996 2.910598 -0.002182
H -1.799090 -1.396548 0.308190
H -8.516821 -0.117902 -0.730599
H -8.538332 -0.018884 1.043093
H -4.789505 2.618322 -0.006603
H -4.270019 -1.685024 0.302926
H -10.136853 -1.808286 0.236078
H -8.823834 -2.556731 1.184895
H -8.805351 -2.652532 -0.600329


