%chk=000154450.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154450

0 1
 O   0.2985000      0.8995000      -1.391400    
 O    4.547600      -1.279700      -1.637300    
 O    3.336000      -2.209500       1.699300    
 O   -1.872100      0.2116000      -3.027000    
 O   -2.151500      -2.197600      0.6713000    
 N   -3.389200     -0.5311000      0.2680000    
 N   -3.320000      -1.827400      0.5058000    
 C    3.628000      -1.774200     -0.6664000    
 C    4.213300      -1.628800      0.7370000    
 C    2.302700      -1.021200     -0.8093000    
 C    4.450300     -0.1615000       1.103400    
 C    2.320600      0.3597000     -0.1979000    
 C    3.307800      0.7507000      0.7240000    
 C   -4.579500      0.1128000      0.8490000    
 C    1.290500       1.256200     -0.5245000    
 C   -3.306100     -0.2231000      -1.153200    
 C   -1.857300     -0.1301000      -1.638000    
 C    3.264300       2.042500       1.272300    
 C   -1.034800      0.9159000     -0.8887000    
 C    1.253100       2.532700      3.5399999E-02
 C   -4.476200       1.631700      0.6669000    
 C   -4.644300     -0.2357000       2.339800    
 C   -5.823300     -0.4202000      0.1299000    
 C    2.241400       2.926900      0.9316000    
 H    3.446600      -2.831200     -0.8942000    
 H    5.167000      -2.163900      0.8062000    
 H    2.061200     -0.9399000      -1.876500    
 H    1.502500      -1.592700     -0.3228000    
 H    4.624300     -8.3499998E-02   2.183900    
 H    5.347900      0.2006000      0.5867000    
 H   -3.832800     -0.9704000      -1.768000    
 H   -3.765300      0.7207000      -1.458500    
 H   -1.362400      -1.106000      -1.573500    
 H    4.031600       2.365800       1.971800    
 H   -1.037700      0.7085000      0.1881000    
 H   -1.450000       1.915500      -1.063000    
 H   0.4646000       3.233800     -0.2242000    
 H   -4.735200       1.990500     -0.3335000    
 H   -5.178000       2.138800       1.341500    
 H   -3.477100       2.003200      0.9244000    
 H   -4.825300      -1.300300       2.528400    
 H   -5.466400      0.3044000       2.825500    
 H   -3.722300      5.1899999E-02   2.859800    
 H   -5.872900     -0.1430000     -0.9286000    
 H   -6.725400      1.2000001E-03  0.5921000    
 H   -5.925800      -1.509400      0.1998000    
 H    2.217900       3.922500       1.364600    
 H    5.375800      -1.779200      -1.536400    
 H    2.530300      -1.669800       1.757400    
 H  -0.9470000      0.2756000      -3.320600    


%chk=000154450-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154450

0 1
O 0.188324 -0.376779 -0.312722
O 4.603201 -0.281469 -2.385711
O 4.929145 -2.037066 0.940394
O -1.599829 -0.671166 -2.431595
O -3.486729 -2.579768 0.915904
N -4.149611 -0.536092 0.278916
N -4.157739 -1.522816 1.242694
C 4.267136 -1.241292 -1.307915
C 5.188035 -1.007530 -0.084493
C 2.783228 -1.023362 -0.968351
C 4.999367 0.419674 0.456465
C 2.507477 0.032515 0.094333
C 3.541538 0.711022 0.790038
C -5.034543 0.668700 0.519235
C 1.155282 0.347030 0.415730
C -3.522528 -0.793665 -1.043877
C -1.987861 -0.989048 -1.045746
C 3.217943 1.670009 1.784808
C -1.235516 -0.081656 -0.066829
C 0.829274 1.309075 1.396687
C -4.210635 1.960929 0.279901
C -5.552626 0.655673 1.977203
C -6.239502 0.602255 -0.460367
C 1.875208 1.970156 2.080615
H 4.410844 -2.280542 -1.667479
H 6.242634 -1.179640 -0.367811
H 2.269901 -0.751735 -1.909546
H 2.331853 -1.982949 -0.651672
H 5.635951 0.567088 1.347591
H 5.343483 1.128454 -0.322861
H -3.975916 -1.704591 -1.477074
H -3.745176 0.057866 -1.704590
H -1.739425 -2.038686 -0.804071
H 4.026896 2.178579 2.321724
H -1.499987 -0.317613 0.982112
H -1.431507 0.987476 -0.280679
H -0.211346 1.541402 1.638781
H -3.798803 2.015700 -0.743398
H -4.863877 2.839619 0.423644
H -3.377111 2.032604 1.000860
H -6.183943 -0.223445 2.180046
H -6.153085 1.569604 2.136656
H -4.722937 0.646860 2.703489
H -5.919282 0.629650 -1.517015
H -6.903567 1.467761 -0.287702
H -6.821779 -0.320775 -0.293554
H 1.632758 2.713093 2.848182
H 5.515864 -0.479726 -2.717925
H 4.087733 -1.802500 1.412285
H -0.612314 -0.755081 -2.484912


