%chk=000041833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041833

0 1
 O   -2.260600     -0.7149000      -1.331400    
 O   -2.519400     -0.9980000       1.048400    
 O    1.559300      -1.485800      0.2412000    
 N    4.954500      0.9859000     -0.2096000    
 C   -2.160900      -1.624600     -0.2079000    
 C  -0.7157000      -2.111600     -0.1087000    
 C   0.2379000     -0.9671000      0.1792000    
 C   -3.110800      -2.796600     -0.4506000    
 C   -2.676100      0.4273000     -0.7168000    
 C   -2.823900      0.2658000      0.6417000    
 C    3.898900      -1.084200      0.5624000    
 C    2.509500     -0.4634000      0.5092000    
 C    4.971400     -3.3599999E-02  0.8324000    
 C   -2.932800       1.632600      -1.337000    
 C   -3.236800       1.300300       1.455500    
 C   -3.353000       2.696800     -0.5357000    
 C   -3.504000       2.531600      0.8525000    
 C    5.917500       2.046800      9.1399997E-02
 C    5.245000      0.3928000      -1.516200    
 H  -0.6153000      -2.858500      0.6892000    
 H  -0.4093000      -2.602400      -1.041300    
 H   0.1934000     -0.2132000     -0.6143000    
 H   1.5000000E-03 -0.4922000       1.137800    
 H   -3.073100      -3.516900      0.3733000    
 H   -2.878600      -3.308900      -1.390100    
 H   -4.145600      -2.442300     -0.5229000    
 H    4.096600      -1.675800     -0.3384000    
 H    3.917600      -1.820200       1.377400    
 H    2.274400      1.2300000E-02   1.468900    
 H    2.441800      0.2908000     -0.2821000    
 H    5.952000     -0.5217000      0.9037000    
 H    4.770400      0.4263000       1.808400    
 H   -2.814700       1.755700      -2.407400    
 H   -3.351700       1.168800       2.525300    
 H   -3.565200       3.662000     -0.9874000    
 H   -3.831600       3.370700       1.460100    
 H    5.866700       2.839300     -0.6636000    
 H    6.946700       1.671900      0.1309000    
 H    5.683900       2.517100       1.053100    
 H    4.426000     -0.2366000      -1.876600    
 H    6.171800     -0.1926000      -1.512300    
 H    5.352000       1.178600      -2.274000    


%chk=000041833-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041833

0 1
O -2.270916 -0.552139 -1.269921
O -2.507772 -0.843152 1.106854
O 1.655079 -1.436066 0.269750
N 5.352039 0.861850 -0.232956
C -2.114738 -1.573632 -0.161390
C -0.651687 -1.998649 -0.063807
C 0.323584 -0.834057 0.138822
C -3.109439 -2.706813 -0.399550
C -2.973655 0.535867 -0.704236
C -3.113732 0.364093 0.692024
C 4.043107 -1.165447 0.540073
C 2.707061 -0.423352 0.446822
C 5.232389 -0.212971 0.784334
C -3.460983 1.669062 -1.361190
C -3.747707 1.317246 1.493630
C -4.112557 2.647996 -0.558422
C -4.253056 2.475841 0.838279
C 6.316390 1.901301 0.180871
C 5.647786 0.351638 -1.587033
H -0.549581 -2.704145 0.781167
H -0.380155 -2.546028 -0.984920
H 0.296203 -0.141835 -0.729048
H 0.065641 -0.263147 1.056101
H -3.051640 -3.440525 0.422465
H -2.882732 -3.215770 -1.351848
H -4.136647 -2.307780 -0.446718
H 4.189911 -1.760427 -0.380413
H 3.993731 -1.889952 1.375145
H 2.518531 0.162564 1.375147
H 2.709199 0.286902 -0.406090
H 6.173240 -0.821798 0.850233
H 5.102196 0.280516 1.767780
H -3.343773 1.793820 -2.440972
H -3.847078 1.175588 2.573118
H -4.511641 3.548474 -1.036720
H -4.760065 3.244175 1.431153
H 6.317001 2.724123 -0.556581
H 7.367148 1.522553 0.274170
H 6.017218 2.318799 1.159063
H 4.843119 -0.320494 -1.930577
H 6.615695 -0.210620 -1.643006
H 5.702986 1.198691 -2.293904


