%chk=000040228.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040228

0 1
 O   -1.540500      -2.319000      -1.292200    
 O   -2.299700      -4.085700      0.5137000    
 N   0.4880000     -0.2434000     -0.6705000    
 C    1.711200      0.2962000     -0.3420000    
 C  -0.5278000      0.4244000      -1.458100    
 C   0.3703000      -1.502000     -0.1443000    
 C    2.389800     -0.6576000      0.4198000    
 C    1.531600      -1.786600      0.5362000    
 C   -1.464900       1.216800     -0.5873000    
 C    2.263100       1.542700     -0.6576000    
 C    3.682700     -0.3543000      0.8907000    
 C  -0.7775000      -2.343200     -0.2960000    
 C    3.546700       1.821100     -0.1795000    
 C    4.247300      0.8887000      0.5829000    
 C   -1.173400       2.543000     -0.2979000    
 C   -2.608500      0.6113000     -8.4399998E-02
 C   -1.126100      -3.354500      0.8140000    
 C   -2.041800       3.277500      0.5096000    
 C   -3.476900       1.345700      0.7230000    
 C   -3.193600       2.678800       1.020000    
 H   -1.059300     -0.2840000      -2.095300    
 H  -2.3700001E-02   1.088100      -2.171700    
 H    1.754100      -2.704800       1.063300    
 H    1.744500       2.272200      -1.267800    
 H    4.240200      -1.072000       1.485700    
 H    4.006700       2.778500     -0.4111000    
 H    5.244700       1.127600      0.9424000    
 H  -0.2944000       3.034500     -0.6992000    
 H   -2.860500     -0.4171000     -0.3143000    
 H   -1.292200      -2.808700       1.747400    
 H  -0.3020000      -4.061500      0.9444000    
 H   -1.823700       4.316800      0.7373000    
 H   -4.376000      0.8810000       1.117300    
 H   -3.870800       3.251200       1.647100    
 H   -2.114900      -4.618300     -0.2786000    


%chk=000040228-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040228

0 1
O -1.792743 -2.180735 -0.815785
O -1.997038 -4.391758 0.612844
N 0.490147 -0.244348 -0.671637
C 1.751825 0.289799 -0.403426
C -0.567842 0.445978 -1.452876
C 0.367215 -1.469624 0.030615
C 2.451568 -0.615331 0.481067
C 1.564091 -1.706520 0.742402
C -1.556360 1.233762 -0.591694
C 2.356419 1.484398 -0.869548
C 3.779320 -0.308406 0.895328
C -0.786421 -2.358778 -0.046418
C 3.668487 1.757441 -0.446390
C 4.375346 0.872759 0.429829
C -1.138520 2.376810 0.138745
C -2.915339 0.837530 -0.530590
C -0.804613 -3.610808 0.853684
C -2.063334 3.110145 0.913585
C -3.843176 1.574822 0.240549
C -3.420463 2.712884 0.963984
H -1.106021 -0.313590 -2.038916
H -0.047298 1.120578 -2.155790
H 1.773017 -2.578713 1.360118
H 1.836130 2.174163 -1.541782
H 4.322401 -0.985520 1.563384
H 4.164009 2.670420 -0.794757
H 5.395587 1.128706 0.734713
H -0.088163 2.690243 0.110578
H -3.235194 -0.059084 -1.072185
H -0.768417 -3.289989 1.915181
H 0.092668 -4.228364 0.648629
H -1.728951 3.990437 1.474144
H -4.891382 1.258049 0.280014
H -4.138952 3.283901 1.562759
H -2.525305 -3.887856 -0.073358


