%chk=000174599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174599

0 1
 O  -0.7410000      -2.752200     -0.6192000    
 O    5.949700      -1.009500     -7.4699998E-02
 O    4.702100      0.8315000      0.4588000    
 N   -1.718100     -0.1484000      9.6500002E-02
 N    1.934200      0.2927000      0.2895000    
 N    3.710800      -1.206000     -0.1423000    
 N   0.2155000       1.794900      0.7125000    
 N  -0.3053000       3.978900     -0.1747000    
 C   -2.556300      -1.131800     -1.2400000E-02
 C  -0.3569000     -0.4676000      5.6499999E-02
 C   -2.061200      -2.569500     -0.1349000    
 C   0.1073000      -1.730600     -0.2997000    
 C   -4.022300     -0.8676000      2.4400000E-02
 C   0.5983000      0.5003000      0.3399000    
 C    1.473000      -1.982000     -0.3804000    
 C    2.337300     -0.9449000     -7.2700001E-02
 C   -4.886900      -1.818900      0.5614000    
 C   -4.523200      0.3316000     -0.4776000    
 C   -6.258800      -1.569800      0.5971000    
 C   -5.895200      0.5807000     -0.4420000    
 C   -6.763000     -0.3699000      9.5200002E-02
 C   6.3299999E-02   2.648100     -0.2543000    
 C    4.768800     -0.3425000      0.1156000    
 C  -0.4307000       4.796800      -1.372900    
 C  -0.8303000       4.543700       1.060500    
 C    7.143600     -0.2514000      0.1520000    
 C    8.345400      -1.136400     -0.1019000    
 H   -2.122300      -3.036700      0.8556000    
 H   -2.728600      -3.120500     -0.8064000    
 H    1.837100      -2.963000     -0.6700000    
 H   -4.520700      -2.756400      0.9694000    
 H   -3.865100       1.083100     -0.9056000    
 H    3.972800      -2.149600     -0.4176000    
 H   -6.934600      -2.308700       1.017700    
 H   -6.288000       1.514400     -0.8339000    
 H   -7.831200     -0.1758000      0.1232000    
 H   0.2525000       2.344100      -1.301100    
 H   0.3094000       4.507100      -2.126500    
 H   -1.429900       4.679700      -1.804000    
 H  -0.2689000       5.856500      -1.150100    
 H   -1.877500       4.252600       1.190200    
 H  -0.2597000       4.190700       1.925800    
 H  -0.7739000       5.637300       1.058900    
 H    7.165500      0.6067000     -0.5289000    
 H    7.158500      0.1046000       1.188100    
 H    9.276900     -0.5877000      6.2399998E-02
 H    8.327600      -2.009200      0.5591000    
 H    8.334600      -1.515600      -1.129200    


%chk=000174599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174599

0 1
O -0.882508 -2.964429 0.244610
O 5.768565 -0.800333 -0.334733
O 4.451047 1.153913 -0.352703
N -2.008212 -0.364242 -0.007309
N 1.650679 0.369867 -0.016926
N 3.544909 -1.057036 -0.152636
N -0.209827 1.874734 0.083504
N 0.242819 4.180885 -0.028983
C -2.809026 -1.384772 0.260382
C -0.620469 -0.537073 0.122433
C -2.221898 -2.676130 0.832245
C -0.043702 -1.847131 0.169189
C -4.267753 -1.235329 0.058978
C 0.292390 0.571514 0.059485
C 1.338386 -2.052528 0.060342
C 2.144436 -0.882614 -0.039671
C -5.191362 -2.275953 0.362830
C -4.776769 0.001511 -0.438465
C -6.577665 -2.087896 0.170238
C -6.157855 0.184249 -0.630497
C -7.068159 -0.860251 -0.328557
C 0.651814 2.874083 -0.058250
C 4.539851 -0.089407 -0.283814
C 1.202362 5.278701 -0.198072
C -1.173033 4.531683 0.163985
C 6.979563 0.048861 -0.490575
C 8.178442 -0.894897 -0.507539
H -2.105240 -2.592036 1.934111
H -2.814814 -3.570419 0.596073
H 1.752976 -3.064161 0.068785
H -4.842865 -3.238425 0.753342
H -4.055107 0.793832 -0.660271
H 3.894093 -2.017523 -0.139928
H -7.273799 -2.899725 0.409040
H -6.531852 1.139521 -1.016027
H -8.143955 -0.716915 -0.479542
H 1.733067 2.710525 -0.203088
H 2.218478 4.871683 -0.327419
H 0.949925 5.887811 -1.087990
H 1.198784 5.943030 0.687996
H -1.549514 5.109581 -0.701914
H -1.739443 3.592496 0.260399
H -1.299737 5.142160 1.078687
H 6.886776 0.627298 -1.428147
H 7.019602 0.764421 0.351024
H 9.110969 -0.312902 -0.623170
H 8.241548 -1.468776 0.432923
H 8.107681 -1.607657 -1.347072


