%chk=000104580.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104580

0 1
 O   0.4091000       1.208800       1.536300    
 O    3.670800     -6.0400002E-02  -1.204800    
 N   -1.771800      0.3720000      8.9900002E-02
 N    1.522400       1.685600     -0.4454000    
 C   -1.271400      -1.022000      0.2188000    
 C   -3.205700      0.5714000     -0.2375000    
 C   -2.192700      -2.055700     -0.4689000    
 C   -4.078400     -0.5643000      0.3465000    
 C   -3.660900      -1.961200     -8.4299996E-02
 C   -1.174100      -1.320400       1.733000    
 C   0.1490000      -1.266700     -0.3595000    
 C   -3.468100      0.7055000      -1.754700    
 C   -3.701500       1.875100      0.4406000    
 C  -0.8560000       1.331900     -0.5180000    
 C   0.4020000       1.404400      0.3229000    
 C    2.856100       1.783200      0.1033000    
 C    3.525900      0.4447000      3.4400001E-02
 C    4.024900     -0.3751000      0.9921000    
 C    4.529800      -1.498100      0.2943000    
 C    4.290500      -1.258500      -1.038900    
 H   -1.850000      -3.079000     -0.2644000    
 H   -2.107800      -1.941400      -1.557500    
 H   -5.134100     -0.4157000      8.2599998E-02
 H   -4.054800     -0.5166000       1.443400    
 H   -4.271700      -2.288300     -0.9347000    
 H   -3.880100      -2.663300      0.7295000    
 H  -0.9880000      -2.389700       1.895900    
 H  -0.3629000     -0.7957000       2.239300    
 H   -2.096400      -1.080700       2.270300    
 H   0.9594000     -0.9087000      0.2750000    
 H   0.3359000      -2.348300     -0.4245000    
 H   0.2655000     -0.8975000      -1.383100    
 H   -3.000600       1.605100      -2.170700    
 H   -3.093500     -0.1489000      -2.324100    
 H   -4.542700      0.7848000      -1.957300    
 H   -4.788900       1.978900      0.3402000    
 H   -3.470800       1.876500       1.512700    
 H   -3.260600       2.775400      1.7000000E-03
 H  -0.6389000       1.081600      -1.562000    
 H   -1.253800       2.351500     -0.5128000    
 H    1.418000       1.818300      -1.447200    
 H    2.803800       2.137000       1.138100    
 H    3.411400       2.515000     -0.4915000    
 H    4.032800     -0.2055000       2.059100    
 H    5.007600      -2.373000      0.7107000    
 H    4.488400      -1.811800      -1.945400    


%chk=000104580-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104580

0 1
O 0.123216 1.639334 1.210823
O 4.570135 0.368480 -0.588012
N -1.820872 0.088284 -0.532197
N 1.575760 1.515882 -0.598305
C -1.476827 -1.358471 -0.343198
C -3.177628 0.629518 -0.175105
C -2.768491 -2.199913 -0.557087
C -3.862328 -0.330246 0.838434
C -3.941610 -1.808185 0.378818
C -0.858299 -1.661928 1.060385
C -0.452365 -1.821227 -1.418080
C -4.059566 0.788136 -1.453870
C -3.069884 2.016805 0.525044
C -0.810955 1.006697 -1.022601
C 0.318066 1.401198 -0.019619
C 2.769223 1.883812 0.192048
C 3.685506 0.728195 0.461288
C 3.863208 -0.142956 1.523381
C 4.896238 -1.086780 1.142854
C 5.298233 -0.749064 -0.137217
H -2.519109 -3.270273 -0.423420
H -3.072414 -2.073637 -1.614373
H -4.879696 0.055219 1.041758
H -3.304398 -0.258202 1.790491
H -4.897354 -1.994761 -0.146843
H -3.951436 -2.458889 1.273748
H -0.571049 -2.729278 1.131990
H 0.041580 -1.046793 1.231757
H -1.566943 -1.438788 1.874410
H 0.541636 -1.358575 -1.276800
H -0.314870 -2.914638 -1.337776
H -0.814070 -1.594924 -2.438465
H -3.537702 1.416029 -2.200841
H -4.271525 -0.187757 -1.924136
H -5.023797 1.277021 -1.213842
H -4.040256 2.271703 0.990595
H -2.284618 1.994477 1.299579
H -2.832369 2.830347 -0.186241
H -0.326246 0.632262 -1.950362
H -1.299865 1.956490 -1.308590
H 1.706129 1.243183 -1.574599
H 2.389590 2.276079 1.150681
H 3.319569 2.689475 -0.328105
H 3.314893 -0.113806 2.462916
H 5.287506 -1.904650 1.744656
H 6.033153 -1.144684 -0.832569


