%chk=000017516.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017516

0 1
 O    1.670200      4.8799999E-02 -0.9838000    
 O    2.282500     -0.2039000       1.245000    
 N    3.820000     -0.5543000     -0.4565000    
 C   -2.860000      -1.363000      0.1847000    
 C   -1.834300     -0.2946000      9.4999997E-03
 C   -2.162800       1.036500      0.2663000    
 C   -2.467200      -2.384200       1.269100    
 C   -3.177800      -2.096100      -1.132400    
 C  -0.5463000     -0.6267000     -0.4106000    
 C   -1.203400       2.035700      0.1030000    
 C   0.4133000      0.3726000     -0.5739000    
 C   8.4600002E-02   1.703800     -0.3171000    
 C   -1.554500       3.458900      0.3777000    
 C    2.577800     -0.2384000      5.4099999E-02
 C    4.958000     -0.8952000      0.3652000    
 H   -3.799700     -0.9019000      0.5180000    
 H   -3.165000       1.300300      0.5959000    
 H   -1.576200      -2.956600      0.9895000    
 H   -3.281800      -3.096900       1.438000    
 H   -2.258200      -1.881100       2.219700    
 H   -3.480000      -1.385600      -1.909900    
 H   -3.999600      -2.805800     -0.9879000    
 H   -2.315100      -2.657000      -1.507600    
 H  -0.2752000      -1.659300     -0.6152000    
 H   0.8371000       2.478200     -0.4448000    
 H   -1.383300       3.690700       1.433600    
 H  -0.9525000       4.140700     -0.2326000    
 H   -2.604700       3.658900      0.1392000    
 H    3.940700     -0.5471000      -1.464600    
 H    5.292200      -1.897300      8.5800000E-02
 H    4.704500     -0.8714000       1.427600    
 H    5.755400     -0.1776000      0.1577000    


%chk=000017516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017516

0 1
O 1.699652 -0.576814 -0.035348
O 3.108715 1.347932 0.164330
N 3.930673 -0.829050 -0.150725
C -3.159860 -1.380470 -0.047855
C -1.982623 -0.407249 0.067306
C -2.206849 0.979026 0.266147
C -3.160245 -2.415539 1.108794
C -3.184527 -2.093127 -1.426156
C -0.649242 -0.868166 -0.023645
C -1.134151 1.896526 0.376433
C 0.420138 0.046289 0.081383
C 0.200896 1.426390 0.280453
C -1.393936 3.375823 0.609130
C 2.941022 0.113873 0.008999
C 5.350398 -0.470975 -0.155784
H -4.090848 -0.784037 0.036929
H -3.238011 1.348717 0.335414
H -2.256480 -3.052108 1.071705
H -4.043495 -3.077823 1.038824
H -3.178659 -1.913961 2.093074
H -3.217420 -1.361150 -2.253076
H -4.069872 -2.751115 -1.507781
H -2.284012 -2.719782 -1.565916
H -0.419057 -1.927240 -0.178512
H 1.044689 2.114454 0.356304
H -1.126862 3.668840 1.642688
H -0.789529 4.002587 -0.071425
H -2.457020 3.629029 0.454175
H 3.637333 -1.798932 -0.267532
H 5.893535 -0.969663 0.668240
H 5.425561 0.619267 -0.018323
H 5.828787 -0.740453 -1.115548


