%chk=000122879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122879

0 1
 O    1.662500      0.2075000     -0.8482000    
 O    3.669100     -0.3807000       2.068900    
 O    3.545900       2.174200      -1.557700    
 O  -0.9068000      -2.987000     -0.6759000    
 O   -4.378700     -5.4699998E-02  3.1700000E-02
 N  -0.3835000     -0.7551000     -0.2328000    
 N   -2.628600      -1.513800     -0.3215000    
 C    3.059000     -0.6857000      0.8325000    
 C    1.031300     -0.9700000     -0.3200000    
 C    1.672900      -1.252500       1.026200    
 C    2.760500      0.5580000      1.0700000E-02
 C    3.936300       1.023200     -0.8298000    
 C  -0.8736000      0.5158000      4.3800000E-02
 C   -1.270900      -1.835400     -0.4284000    
 C   -2.173500      0.8168000      0.1450000    
 C   -3.171600     -0.2671000     -4.8400000E-02
 C   -2.597000       2.143000      0.4313000    
 C   -2.953400       3.263300      0.6727000    
 H    3.684100      -1.399700      0.2830000    
 H    1.244500      -1.788500      -1.017800    
 H    1.674900      -2.317300       1.279800    
 H    1.160000     -0.7358000       1.847800    
 H    2.422700       1.384900      0.6487000    
 H    4.241200      0.2593000      -1.552600    
 H    4.796000       1.282800     -0.2056000    
 H    4.519400      5.0200000E-02   1.878300    
 H  -0.1327000       1.293500      0.2011000    
 H   -3.286300      -2.276400     -0.4586000    
 H    2.778500       1.930700      -2.103300    
 H   -3.269600       4.257500      0.8868000    


%chk=000122879-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122879

0 1
O 1.720025 0.051288 -0.952303
O 3.559917 -0.049944 2.233323
O 3.653007 1.888094 -2.028096
O -0.931875 -2.882883 -1.101603
O -4.477037 0.014685 -0.180097
N -0.425574 -0.757867 -0.205566
N -2.662849 -1.378704 -0.624712
C 3.091469 -0.555594 0.944826
C 1.027300 -1.050187 -0.244403
C 1.688527 -1.156082 1.147739
C 2.841775 0.560988 -0.103909
C 4.003709 0.858813 -1.052285
C -0.876164 0.475985 0.242334
C -1.317963 -1.759159 -0.681737
C -2.213656 0.829125 0.292594
C -3.230112 -0.149484 -0.164958
C -2.635107 2.109078 0.761743
C -3.021345 3.208852 1.166966
H 3.790499 -1.313227 0.528624
H 1.124796 -1.974669 -0.835894
H 1.711740 -2.193447 1.514523
H 1.158318 -0.535160 1.892148
H 2.513127 1.486740 0.411033
H 4.316493 -0.084046 -1.551618
H 4.861005 1.272213 -0.490866
H 4.522407 0.175161 2.181502
H -0.099197 1.184631 0.537379
H -3.332074 -2.081509 -0.956075
H 2.840575 1.583700 -2.509229
H -3.369135 4.163611 1.516315


