%chk=000158877.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158877

0 1
 O   -4.118400      -2.209500      7.7600002E-02
 O   -3.002000       2.301300     -0.1360000    
 O    2.757300     -0.4387000     -0.3864000    
 N   -1.789500      -1.728600     -7.5199999E-02
 C   -1.245000      0.6378000     -0.1849000    
 C  -0.8948000     -0.7329000     -0.1607000    
 C   -2.601000      0.9936000     -0.1171000    
 C   -3.548900     -3.2299999E-02 -2.7500000E-02
 C   -3.073000      -1.337100     -1.2300000E-02
 C  -0.2483000       1.623200     -0.2756000    
 C   0.4561000      -1.057200     -0.2298000    
 C    1.447300     -7.6300003E-02 -0.3205000    
 C    1.094900       1.266200     -0.3432000    
 C   -4.960200     -0.1235000      5.7999998E-02
 C   -5.254000      -1.465500      0.1201000    
 C    3.710800      0.4688000      0.1642000    
 C    4.903200     -0.2942000      0.6495000    
 C    6.177400     -0.2051000      0.2235000    
 C   -3.732200       2.765800      0.9944000    
 C    7.246700      -1.069300      0.8388000    
 C    6.673600      0.7136000     -0.8569000    
 H  -0.5013000       2.680900     -0.3008000    
 H   0.7570000      -2.104300     -0.2132000    
 H    1.826200       2.062600     -0.4381000    
 H   -5.684000      0.6782000      6.5499999E-02
 H   -6.175300      -2.025000      0.1905000    
 H    3.965500       1.212400     -0.5944000    
 H    3.303000      0.9917000       1.039900    
 H    4.680400      -1.004600       1.445100    
 H   -3.463100       3.812900       1.162300    
 H   -3.493500       2.203400       1.903800    
 H   -4.805200       2.722500      0.7905000    
 H    7.706300      -1.704900      7.4800000E-02
 H    8.026500     -0.4450000       1.287400    
 H    6.854500      -1.724900       1.623500    
 H    7.145100      0.1313000      -1.655900    
 H    5.890900       1.317500      -1.318800    
 H    7.420500       1.402700     -0.4487000    


%chk=000158877-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158877

0 1
O -4.134711 -2.232839 -0.116519
O -2.854291 2.419221 0.300867
O 2.831110 -0.599379 0.388196
N -1.805648 -1.746434 0.049763
C -1.223352 0.676720 0.261829
C -0.858131 -0.731298 0.177523
C -2.615345 1.050514 0.212181
C -3.581548 0.030680 0.082620
C -3.055210 -1.319811 0.011710
C -0.180784 1.645061 0.390674
C 0.514758 -1.099601 0.228340
C 1.513158 -0.124043 0.356472
C 1.161296 1.265503 0.438077
C -5.033231 -0.100287 -0.008814
C -5.307013 -1.443494 -0.123984
C 3.924844 0.389338 0.599146
C 5.200510 -0.390060 0.740041
C 6.335170 -0.257907 -0.005443
C -4.233138 2.920411 0.268742
C 7.553466 -1.116396 0.292534
C 6.515610 0.713532 -1.158507
H -0.455216 2.701806 0.451503
H 0.778913 -2.157606 0.165400
H 1.932635 2.034830 0.532123
H -5.789412 0.679350 0.006631
H -6.234875 -2.001201 -0.218060
H 3.950320 1.099397 -0.249083
H 3.705528 0.955241 1.529727
H 5.183652 -1.137096 1.545294
H -4.139265 4.012287 0.359522
H -4.817801 2.523843 1.118531
H -4.724115 2.666268 -0.688109
H 7.820920 -1.733625 -0.587824
H 8.437652 -0.488184 0.519271
H 7.382129 -1.792223 1.147388
H 6.872435 0.174714 -2.057637
H 5.593347 1.251456 -1.431485
H 7.289132 1.468809 -0.915239


