%chk=000073679.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073679

0 1
 O    3.029800       1.778500      0.3885000    
 O    1.376900      -2.028700      0.6676000    
 O   -1.281800      -2.232800     -0.1197000    
 N   0.6248000     -0.9429000      0.2010000    
 N  -0.8282000       1.252000     -0.6094000    
 C    2.694200      0.3885000      0.4811000    
 C    1.247300      0.2725000      0.1176000    
 C    3.603300     -0.3750000     -0.5047000    
 C   -3.738000      0.1514000      0.3401000    
 C   -2.863100     -4.3000001E-02 -0.9004000    
 C    2.922600     -4.8400000E-02   1.931500    
 C   -1.409000      9.1700003E-02 -0.5510000    
 C   0.5023000       1.316600     -0.2793000    
 C  -0.6774000      -1.172200     -0.1385000    
 C    3.573600      0.1301000      -1.941500    
 C   -3.572300       1.552300      0.9344000    
 C   -5.205000     -9.0599999E-02 -1.7400000E-02
 H    3.402600      -1.450700     -0.5035000    
 H    4.640800     -0.2654000     -0.1595000    
 H   -3.449300     -0.5784000       1.107200    
 H   -3.044500      -1.020700      -1.359700    
 H   -3.107400      0.7092000      -1.661100    
 H    2.972000      -1.131100       2.069600    
 H    2.151900      0.3536000       2.600400    
 H    3.875500      0.3557000       2.296500    
 H   0.9111000       2.316000     -0.3745000    
 H    3.848600       1.187400      -2.002700    
 H    4.287800     -0.4342000      -2.550300    
 H    2.583500      2.4999999E-03  -2.389300    
 H   -4.289200       1.713000       1.747400    
 H   -3.741300       2.329300      0.1812000    
 H   -2.575000       1.694300       1.361100    
 H   -5.346700      -1.101200     -0.4147000    
 H   -5.843400      1.1500000E-02  0.8666000    
 H   -5.554200      0.6229000     -0.7717000    
 H    2.689200       2.233700       1.178100    
 H    1.361500      -2.611300     -0.1111000    


%chk=000073679-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073679

0 1
O 3.299956 1.835341 0.288923
O 1.246161 -2.013941 0.632565
O -1.209775 -2.166454 0.047441
N 0.636594 -0.802093 0.191765
N -0.723482 1.395636 -0.731971
C 2.841982 0.441386 0.473604
C 1.352025 0.370404 0.090136
C 3.718773 -0.402635 -0.492371
C -3.803600 0.058933 0.287160
C -2.859926 0.156955 -0.956041
C 3.059061 0.026033 1.949535
C -1.397563 0.232893 -0.600527
C 0.612120 1.460545 -0.394960
C -0.744257 -0.973868 -0.121348
C 3.582933 -0.003872 -1.975755
C -3.728757 1.334949 1.156276
C -5.252575 -0.206881 -0.181415
H 3.463990 -1.468027 -0.350597
H 4.764524 -0.258783 -0.161870
H -3.470022 -0.808812 0.891034
H -3.031242 -0.737984 -1.585682
H -3.116331 1.057476 -1.543247
H 2.772277 -1.023881 2.116452
H 2.460344 0.659541 2.632550
H 4.127120 0.151951 2.199059
H 1.119846 2.413452 -0.546421
H 3.809655 1.066721 -2.113284
H 4.285514 -0.590739 -2.594298
H 2.563045 -0.191857 -2.358544
H -4.367132 1.233147 2.053665
H -4.079130 2.216789 0.586225
H -2.696975 1.545058 1.491800
H -5.323128 -1.147699 -0.758210
H -5.937481 -0.285495 0.683232
H -5.615577 0.617920 -0.824922
H 2.999803 2.375484 1.065078
H 0.414729 -2.631495 0.564862


