%chk=000044639.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044639

1 1
 O   -1.180800     -0.7942000       1.799300    
 O    4.129800       2.469100      0.2166000    
 N   -2.097500       1.516700      0.2058000    
 N    2.730800      -2.842600     -0.4089000    
 C   -1.018400      0.4838000     -0.2209000    
 C   -3.187300     -0.3141000      -1.262400    
 C   -3.249600      0.8493000      0.9785000    
 C   -1.694500     -0.6108000      -1.066500    
 C   -3.848400     -0.2863000      0.1323000    
 C   -2.686700       2.148100      -1.075400    
 C   -3.311000       1.055500      -1.939900    
 C  -0.2607000     -0.1103000      0.9656000    
 C   -1.500400       2.638100       1.050500    
 C   -5.343200     -0.1802000      5.6299999E-02
 C   0.8145000      -1.040600      0.4803000    
 C   -6.184300      -1.104300      0.5326000    
 C    2.109600     -0.5949000      0.1988000    
 C   0.4773000      -2.374100      0.3199000    
 C    3.051200      -1.544500     -0.2503000    
 C    2.478700      0.7521000      0.3535000    
 C    1.465800      -3.228500     -0.1246000    
 C    4.341900      -1.104700     -0.5312000    
 C    3.776600       1.164400      6.5300003E-02
 C    4.709100      0.2346000     -0.3777000    
 C    5.477500       2.818400     -9.7400002E-02
 H  -0.3203000       1.043100     -0.8584000    
 H   -3.639700      -1.087700      -1.894300    
 H   -3.985400       1.644500       1.161200    
 H   -2.911100      0.5349000       1.967400    
 H   -1.649200      -1.609900     -0.6403000    
 H   -1.195200     -0.6731000      -2.042100    
 H   -3.604100      -1.233000      0.6349000    
 H   -1.872100       2.661800      -1.598600    
 H   -3.435300       2.888400     -0.7701000    
 H   -4.356600       1.301800      -2.155100    
 H   -2.808000       1.035200      -2.915000    
 H   0.1709000      0.6616000       1.604700    
 H   -2.256600       3.420000       1.170500    
 H   -1.231800       2.242900       2.033000    
 H  -0.6230000       3.033000      0.5306000    
 H   -5.771800      0.7097000     -0.3973000    
 H  -0.6878000      -1.165700       2.551000    
 H   -7.256800     -0.9628000      0.4540000    
 H   -5.824800      -2.011500       1.005300    
 H  -0.4915000      -2.791100      0.5667000    
 H    1.779800       1.515700      0.6807000    
 H    1.267500      -4.286900     -0.2589000    
 H    5.090200      -1.814500     -0.8795000    
 H    5.737400      0.4788000     -0.6218000    
 H    5.701700       2.645000      -1.155400    
 H    6.188500       2.313500      0.5653000    
 H    5.582600       3.893700      7.9999998E-02


%chk=000044639-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044639

1 1
O -1.100743 -1.009397 2.197169
O 3.822810 2.613244 -0.295631
N -2.107618 1.298439 0.584391
N 2.984895 -2.946552 -0.269112
C -1.009834 0.267968 0.134186
C -3.049474 -0.250498 -1.285291
C -3.387585 0.570933 1.071870
C -1.706176 -0.804097 -0.746699
C -4.063815 -0.217141 -0.095982
C -2.477787 2.126455 -0.669177
C -2.817409 1.175586 -1.845476
C -0.170237 -0.310339 1.304263
C -1.616841 2.230449 1.674636
C -5.423662 0.347048 -0.465013
C 0.934910 -1.212140 0.752560
C -6.567964 -0.377771 -0.489074
C 2.158731 -0.640260 0.236254
C 0.786191 -2.602820 0.745542
C 3.156672 -1.569992 -0.270371
C 2.443077 0.756577 0.200388
C 1.834432 -3.431486 0.231342
C 4.384403 -1.055496 -0.792727
C 3.660601 1.229503 -0.317303
C 4.642738 0.313768 -0.823061
C 5.094633 3.181992 -0.775344
H -0.318524 0.878078 -0.477500
H -3.443449 -0.907281 -2.077876
H -4.048871 1.358579 1.472777
H -3.060391 -0.091876 1.885905
H -1.886417 -1.716546 -0.152825
H -1.029480 -1.073927 -1.574581
H -4.205467 -1.260139 0.242520
H -1.622018 2.787247 -0.888245
H -3.336680 2.753109 -0.373062
H -3.713512 1.543579 -2.371141
H -1.996033 1.156809 -2.582788
H 0.308875 0.521694 1.859995
H -2.364149 3.026921 1.817732
H -1.501350 1.664812 2.610433
H -0.657606 2.681180 1.374028
H -5.467919 1.416850 -0.724466
H -0.590457 -1.507031 2.885750
H -7.526170 0.071532 -0.769851
H -6.583123 -1.443913 -0.229608
H -0.126836 -3.071713 1.126511
H 1.748220 1.505946 0.593794
H 1.721797 -4.521150 0.227385
H 5.112898 -1.782010 -1.164123
H 5.591532 0.678322 -1.225788
H 5.252395 2.958411 -1.846621
H 5.946818 2.809391 -0.177893
H 4.988472 4.266554 -0.634199


