%chk=000047631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047631

0 1
 O   -7.212000     -0.2724000      0.5786000    
 O    4.879800     -0.7128000      0.1504000    
 O    1.494800      -2.972100     -0.1681000    
 O  -0.5120000      -2.086500     -0.2539000    
 O    5.565900       1.449100      0.2928000    
 N   -3.720800      0.5949000     -0.2245000    
 N  -0.8677000      0.4728000     -0.1585000    
 N   0.7371000      -1.968600     -0.1699000    
 N    4.584200      0.6795000      0.1958000    
 N    3.681700      -1.399800      4.2599998E-02
 C   -1.637300      0.3871000       1.089000    
 C   -1.549100       1.126000      -1.280400    
 C   -3.034800     -0.1757000      0.8200000    
 C   -2.950200      0.5404000      -1.472700    
 C   -5.074400      8.2500003E-02 -0.4343000    
 C   0.5277000      0.5260000     -6.8000004E-02
 C    1.303500     -0.6760000     -7.4500002E-02
 C   -5.903100      0.2206000      0.8328000    
 C    1.168900       1.818100      3.2200001E-02
 C    2.695200     -0.4922000      2.1900000E-02
 C    3.265000      0.8315000      0.1191000    
 C    2.557800       2.027600      0.1296000    
 H   -1.129900     -0.2587000       1.816600    
 H   -1.711600       1.386100       1.538100    
 H  -0.9784000      0.9827000      -2.206200    
 H   -1.617500       2.205600      -1.096000    
 H   -2.968400      -1.235600      0.5433000    
 H   -3.552500     -0.1194000       1.781200    
 H   -3.457800       1.118500      -2.254300    
 H   -2.868600     -0.4942000      -1.832800    
 H   -5.065400     -0.9650000     -0.7648000    
 H   -5.572700      0.6469000      -1.233400    
 H   -5.988700       1.267400       1.141200    
 H   -5.527500     -0.3612000       1.676600    
 H   0.5352000       2.707000      4.0600002E-02
 H    2.999600       3.011400      0.2047000    
 H   -7.131700      -1.210900      0.3364000    


%chk=000047631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047631

0 1
O -7.417117 -0.330956 0.313711
O 4.932002 -0.853332 0.530723
O 1.414099 -2.789734 1.031959
O -0.456683 -2.133696 -0.104606
O 5.722753 1.345579 -0.355464
N -3.727608 0.482131 -0.098357
N -0.838078 0.704630 0.031709
N 0.710586 -1.885589 0.426563
N 4.731325 0.612262 -0.076843
N 3.650519 -1.409872 0.739163
C -1.622539 0.090027 1.135482
C -1.645589 1.666074 -0.761846
C -2.929499 -0.541056 0.628061
C -2.949205 0.994691 -1.246897
C -5.084083 0.013443 -0.469873
C 0.534331 0.595582 -0.100765
C 1.295323 -0.565469 0.271043
C -6.062930 0.068716 0.722474
C 1.257076 1.767808 -0.596130
C 2.739546 -0.474250 0.327713
C 3.377474 0.728040 -0.157745
C 2.636055 1.845769 -0.635132
H -1.020765 -0.648925 1.677569
H -1.881004 0.912560 1.835970
H -1.077833 1.994978 -1.646041
H -1.905467 2.547179 -0.139395
H -2.686892 -1.415147 -0.015588
H -3.501747 -0.898262 1.501802
H -3.549458 1.755457 -1.778572
H -2.686069 0.187433 -1.975620
H -5.066298 -1.024164 -0.893340
H -5.485073 0.675706 -1.258854
H -6.164095 1.107062 1.073564
H -5.704752 -0.554509 1.568570
H 0.680703 2.650767 -0.879996
H 3.154327 2.744707 -0.980517
H -7.409035 -1.285038 0.046703


