%chk=000125092.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125092

0 1
 O    3.887000      -1.069800       1.693400    
 O   -3.873200      -1.079600      -1.696400    
 N    1.297100       2.965200     -0.5242000    
 N   -1.334200       2.927800      0.5271000    
 C   0.5459000       1.687000     -0.5697000    
 C  -0.5420000       1.687900      0.5686000    
 C    1.461300      0.5099000     -0.5442000    
 C   -1.475800      0.4840000      0.5433000    
 C    2.255200      0.2673000      0.5768000    
 C   -2.246300      0.2628000     -0.5788000    
 C    1.524400     -0.3478000      -1.642400    
 C   -1.521600     -0.3449000       1.644400    
 C    3.112100     -0.8331000      0.5997000    
 C   -3.101900     -0.8387000     -0.6010000    
 C    2.381600      -1.448000      -1.619600    
 C   -2.377400      -1.446200       1.622200    
 C    3.175400      -1.690700     -0.4986000    
 C   -3.167500      -1.693100      0.4995000    
 H   2.1600001E-02   1.703300      -1.534400    
 H  -2.2200000E-02   1.704300       1.535800    
 H    2.008700       2.970300      -1.253800    
 H    1.785700       3.050100      0.3659000    
 H   -2.048500       2.911000       1.253700    
 H   -1.818400       3.010200     -0.3652000    
 H    2.220200      0.9275000       1.439700    
 H   -2.200600      0.9260000      -1.437500    
 H   0.9124000     -0.1742000      -2.523400    
 H  -0.9108000     -0.1633000       2.523300    
 H    2.430600      -2.115900      -2.474600    
 H   -2.428300      -2.111600       2.479000    
 H    3.838800      -2.551300     -0.4935000    
 H   -3.832000      -2.552700      0.4883000    
 H    4.416500      -1.870500       1.536900    
 H   -3.700500     -0.3912000      -2.361500    


%chk=000125092-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125092

0 1
O 4.008791 -0.797197 1.895205
O -4.413747 -0.872525 -1.513203
N 1.225552 3.005753 -0.549747
N -1.407456 2.928344 0.247088
C 0.518294 1.694128 -0.590815
C -0.615876 1.714032 0.500430
C 1.444498 0.479975 -0.459592
C -1.488112 0.457794 0.429427
C 2.315428 0.359294 0.649966
C -2.551412 0.401012 -0.503390
C 1.454556 -0.528857 -1.455491
C -1.238941 -0.656688 1.265733
C 3.178189 -0.751558 0.758264
C -3.342274 -0.764800 -0.602755
C 2.322296 -1.637287 -1.342096
C -2.038321 -1.818784 1.156473
C 3.192724 -1.759019 -0.237097
C -3.092827 -1.885620 0.222454
H -0.000856 1.646486 -1.566121
H -0.104438 1.713758 1.496785
H 1.743567 3.200858 -1.414662
H 1.848076 3.093669 0.264428
H -2.112988 3.131919 0.960599
H -0.788939 3.718173 0.018010
H 2.340232 1.110380 1.447907
H -2.751134 1.294617 -1.110071
H 0.772971 -0.451823 -2.310066
H -0.420715 -0.618816 1.993848
H 2.321636 -2.414079 -2.114639
H -1.841796 -2.679091 1.806085
H 3.867650 -2.620699 -0.151672
H -3.726331 -2.772496 0.126885
H 4.565620 -1.614822 1.890202
H -4.510616 -0.034027 -2.029573


