%chk=000028149.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028149

0 1
 O   0.9788000       1.437700     -0.2185000    
 O  -0.7976000       3.548300     -0.5896000    
 O   -2.166500      0.3926000      0.6363000    
 O   0.6403000      -1.052100      -1.405600    
 O   -3.340300     -0.7451000     -0.9769000    
 N   -3.084300      -1.592200       1.167900    
 N   -3.805500      -2.737800      0.9064000    
 C   -1.074300       2.528300      0.3731000    
 C   0.2562000       1.986300      0.8788000    
 C   -1.903200       1.437100     -0.2948000    
 C    1.839100      0.4099000      6.2899999E-02
 C    1.665200     -0.8340000     -0.5350000    
 C    2.886300      0.6263000      0.9527000    
 C    2.547900      -1.872800     -0.2400000    
 C    3.769100     -0.4127000       1.247700    
 C    3.599900      -1.662300      0.6514000    
 C   -2.907300     -0.6614000      0.1684000    
 C   0.8962000     -0.7959000      -2.785200    
 H   -1.626800       2.975300       1.206100    
 H   9.0899996E-02   1.237900       1.664000    
 H   0.8512000       2.807000       1.296200    
 H   -2.851600       1.868900     -0.6389000    
 H   -1.393100       1.037000      -1.179400    
 H    3.035000       1.596700       1.417700    
 H  -0.2788000       3.147100      -1.307800    
 H    2.421500      -2.849100     -0.7000000    
 H    4.589400     -0.2483000       1.940200    
 H    4.287500      -2.471100      0.8810000    
 H    1.696200      -1.445500      -3.154200    
 H    1.163100      0.2545000      -2.938500    
 H  -1.6600000E-02  -1.010000      -3.347700    
 H   -2.697100      -1.461000       2.096500    
 H   -3.194600      -3.526500       1.115200    
 H   -4.558700      -2.776500       1.591900    


%chk=000028149-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028149

0 1
O 1.026850 1.204865 -0.165685
O -0.402566 3.451562 0.177213
O -2.919745 0.746738 0.448991
O 0.929793 -1.662926 -0.171563
O -2.853694 -0.852926 -1.300572
N -4.131446 -1.157599 0.648266
N -4.654985 -2.424020 0.313082
C -0.986154 2.211466 0.699575
C 0.120300 1.196158 1.022663
C -2.032949 1.678304 -0.298319
C 2.211055 0.438208 -0.001306
C 2.159288 -0.984285 -0.024356
C 3.444528 1.102533 0.156462
C 3.347639 -1.725658 0.151308
C 4.633943 0.353739 0.313488
C 4.582594 -1.059644 0.324560
C -3.265421 -0.462452 -0.178366
C 0.361430 -1.581212 -1.543286
H -1.507250 2.486359 1.633633
H -0.282592 0.179113 1.180931
H 0.703234 1.519387 1.905682
H -2.653616 2.516077 -0.657037
H -1.576481 1.148972 -1.152729
H 3.456808 2.197709 0.162494
H 0.365503 3.178269 -0.394156
H 3.282536 -2.818638 0.145766
H 5.590718 0.872190 0.436176
H 5.500323 -1.642060 0.459227
H 0.981250 -2.180602 -2.237073
H 0.314878 -0.531563 -1.883280
H -0.657925 -1.985590 -1.477970
H -4.419657 -0.751459 1.538294
H -3.918759 -3.137892 0.246619
H -5.231934 -2.386521 -0.536432


