%chk=000173575.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173575

0 1
 O   -3.626300      0.6133000     -0.7815000    
 O   0.7818000       2.167700      0.6939000    
 N   0.9503000     -0.1093000      0.2370000    
 N   -3.237500       1.738800     -7.4800000E-02
 N   -1.001500      0.9980000     -0.1553000    
 N   -1.750000       2.725800       1.334800    
 C   -4.541300      -1.609900     -0.5173000    
 C   -4.088000     -0.3253000      0.1818000    
 C   -3.389500      -2.263100      -1.284300    
 C   -5.126900      -2.590100      0.4968000    
 C    2.329500     -0.3529000      4.3400001E-02
 C    2.906100      -1.488900      0.5934000    
 C    3.085100      0.5479000     -0.6936000    
 C    4.266700      -1.729200      0.4022000    
 C    4.445700      0.3076000     -0.8847000    
 C    5.036600     -0.8310000     -0.3369000    
 C    2.108000      -2.469700       1.389900    
 C    2.481000       1.776100      -1.293800    
 C   0.2931000       1.110200      0.3073000    
 C   -1.922900       1.783900      0.3420000    
 H   -5.318300      -1.353400      -1.248600    
 H   -4.934200      0.1078000      0.7310000    
 H   -3.292000     -0.5583000      0.9012000    
 H   -3.723700      -3.182700      -1.776400    
 H   -2.561800      -2.519400     -0.6141000    
 H   -3.001900      -1.595400      -2.060600    
 H   -5.482200      -3.498700     -7.9999998E-04
 H   -5.977500      -2.143900       1.022800    
 H   -4.381500      -2.882900       1.244200    
 H    4.743300      -2.611500      0.8212000    
 H    5.060000      0.9990000      -1.455500    
 H    6.096200      -1.017800     -0.4853000    
 H   0.3619000     -0.9325000      0.3351000    
 H    1.584700      -1.968100       2.210800    
 H    1.379300      -2.978300      0.7501000    
 H    2.743600      -3.240000       1.840400    
 H    3.081900       2.072300      -2.165700    
 H    1.488500       1.622200      -1.723800    
 H    2.536200       2.630600     -0.6158000    
 H   -3.972500       2.312500      0.3248000    
 H  -0.8495000       2.888100       1.771300    
 H   -2.527200       3.289600       1.661900    


%chk=000173575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173575

0 1
O -3.927988 0.649147 -0.240225
O 0.805240 2.141912 0.768666
N 0.833528 -0.048380 -0.097380
N -3.408916 1.725139 0.570474
N -1.214712 0.925267 0.252921
N -1.608072 3.176984 1.015109
C -4.429442 -1.715810 -0.403833
C -4.072815 -0.592392 0.582241
C -3.232346 -2.053557 -1.322194
C -4.912180 -2.958533 0.382786
C 2.243908 -0.300957 -0.097985
C 2.702246 -1.481012 0.564066
C 3.149302 0.560716 -0.785316
C 4.084792 -1.776913 0.550913
C 4.528949 0.235423 -0.756789
C 5.000081 -0.918179 -0.096169
C 1.723480 -2.395105 1.280910
C 2.671810 1.771541 -1.558924
C 0.178656 1.099415 0.339048
C -2.022330 1.935319 0.584836
H -5.267685 -1.350623 -1.032340
H -4.872124 -0.429596 1.332900
H -3.109795 -0.788874 1.087979
H -3.528603 -2.774460 -2.106189
H -2.412189 -2.508549 -0.732661
H -2.839971 -1.142182 -1.803709
H -5.159357 -3.781525 -0.311953
H -5.813261 -2.738545 0.985488
H -4.122870 -3.324436 1.067503
H 4.443322 -2.677851 1.062808
H 5.234846 0.892741 -1.278264
H 6.070614 -1.151697 -0.092659
H 0.194788 -0.822584 -0.296662
H 1.071778 -1.826005 1.969535
H 1.058394 -2.932901 0.574443
H 2.260270 -3.160058 1.866776
H 3.461141 2.141486 -2.235525
H 1.775774 1.532859 -2.161986
H 2.377916 2.581341 -0.867068
H -4.033667 2.536051 0.521730
H -0.577572 3.262441 1.112184
H -2.251635 3.922043 1.273013


