%chk=000045740.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045740

2 1
 O   0.3634000     -0.8062000     -0.4013000    
 O   -5.995700      -1.831800     -0.5610000    
 O    5.975100       2.313000     -0.1879000    
 N   -3.086400      0.4414000      5.8300000E-02
 N    4.065500     -0.8834000      6.1999999E-02
 C   -2.010500     -0.4539000     -0.4367000    
 C   -4.452500      5.2999998E-03 -0.4887000    
 C   -3.155200      0.4143000       1.591200    
 C   -2.835500       1.889600     -0.3830000    
 C  -0.6753000      2.5300000E-02  9.8200001E-02
 C    2.709300      -1.307600     -0.4830000    
 C   -4.747800      -1.408400     -2.7899999E-02
 C    4.366800      0.5414000     -0.3797000    
 C   -4.285600       1.306600       2.055200    
 C   -2.763100       1.944900      -1.893300    
 C    1.637100     -0.3929000      7.5499997E-02
 C    5.141400      -1.818300     -0.4714000    
 C    4.044500     -0.9493000       1.582400    
 C    5.704200      0.9700000      0.1912000    
 H   -2.163100      -1.464200     -4.3600000E-02
 H   -2.032400     -0.5388000      -1.527700    
 H   -5.234600      0.7296000     -0.2449000    
 H   -4.389700     -2.5599999E-02  -1.581200    
 H   -3.233900     -0.6157000       1.948400    
 H   -2.229600      0.8404000       1.988600    
 H   -1.953800       2.298600      0.1165000    
 H   -3.695600       2.500000     -9.5600002E-02
 H  -0.4394000       1.042300     -0.2213000    
 H  -0.6270000     -3.0500000E-02   1.188500    
 H    2.529200      -2.350900     -0.1968000    
 H    2.747400      -1.259800      -1.577900    
 H   -4.853300      -1.494100       1.054600    
 H   -4.017800      -2.145800     -0.3659000    
 H    4.357400      0.5818000      -1.475200    
 H    3.607900       1.228300      1.9000000E-03
 H   -5.281300      0.9720000       1.757800    
 H   -4.161900       2.364800       1.818000    
 H   -4.299700       1.271900       3.152900    
 H   -3.691200       1.670600      -2.399000    
 H   -1.933400       1.376500      -2.319200    
 H   -2.578000       2.987100      -2.183800    
 H    1.603500     -0.4207000       1.168000    
 H    1.769200      0.6397000     -0.2536000    
 H    4.815800      -2.847200     -0.2869000    
 H    6.085100      -1.652500      5.3500000E-02
 H    5.250700      -1.649400      -1.546800    
 H    3.543100     -6.7100003E-02   1.990300    
 H    5.070800     -0.9964000       1.959400    
 H    3.527300      -1.866300       1.883100    
 H    6.534000      0.3735000     -0.1944000    
 H    5.727800      0.9500000       1.283200    
 H   -5.928000      -1.799300      -1.530600    
 H    6.838000       2.550600      0.1924000    


%chk=000045740-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045740

2 1
O 0.429839 -0.411511 0.062932
O -5.557545 -2.049740 -1.349206
O 6.292561 2.112897 -0.447891
N -3.243943 0.546472 0.086379
N 4.185321 -0.934373 0.159115
C -1.899097 -0.170204 -0.141981
C -4.332222 -0.194876 -0.722883
C -3.579411 0.535946 1.609652
C -3.191670 2.024087 -0.408313
C -0.646256 0.526446 0.425120
C 2.679043 -1.041725 -0.169044
C -4.687510 -1.621290 -0.259578
C 4.697091 0.460679 -0.258818
C -4.950806 1.105801 1.990413
C -2.786391 2.212716 -1.874232
C 1.773316 0.039654 0.453884
C 4.900101 -2.027768 -0.645697
C 4.425909 -1.182632 1.651303
C 6.222049 0.676081 -0.202715
H -1.979202 -1.169971 0.314211
H -1.774135 -0.302435 -1.228332
H -5.240385 0.427513 -0.707760
H -3.979486 -0.260010 -1.764358
H -3.488672 -0.516462 1.928949
H -2.779510 1.114816 2.102027
H -2.499356 2.549720 0.272001
H -4.201355 2.429929 -0.239000
H -0.460893 1.513234 -0.045289
H -0.686829 0.650722 1.526252
H 2.341743 -2.033301 0.177544
H 2.584642 -1.006312 -1.267250
H -5.216443 -1.619048 0.715024
H -3.791999 -2.273142 -0.181152
H 4.342834 0.644675 -1.287206
H 4.235150 1.200369 0.415657
H -5.791749 0.572598 1.517831
H -5.048206 2.183471 1.783105
H -5.068716 0.983102 3.081830
H -3.508503 1.772446 -2.580481
H -1.779318 1.826545 -2.105436
H -2.769828 3.298209 -2.077100
H 1.856951 0.080233 1.559574
H 1.975550 1.046438 0.036727
H 4.437616 -2.999923 -0.416114
H 5.962364 -2.052279 -0.364652
H 4.800754 -1.808101 -1.719493
H 4.012048 -0.348964 2.236566
H 5.506797 -1.255730 1.837272
H 3.940863 -2.128294 1.938225
H 6.749407 0.097767 -0.987179
H 6.643769 0.412887 0.789686
H -6.020226 -2.897762 -1.133788
H 7.227146 2.413801 -0.573530


