%chk=000005493.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005493

0 1
 O   0.5766000      0.7595000      -1.385400    
 O  -8.8900000E-02  -3.417500      0.6907000    
 N   -1.502600      -1.661700      7.3000002E-03
 N    2.935800     -0.7459000     -0.9305000    
 C   -1.460000     -0.3504000     -0.6374000    
 C   -2.008500      0.7398000      0.2588000    
 C   2.7600000E-02 -0.1996000     -0.8692000    
 C   0.7136000      -1.407200     -0.3637000    
 C  -0.2934000      -2.326400      0.1921000    
 C   -3.514900      0.8089000      0.2109000    
 C    2.026200      -1.628700     -0.4031000    
 C   -4.128900       1.625000     -0.7265000    
 C   -4.259300      5.4800000E-02   1.104900    
 C    2.613100      -2.905000      0.1465000    
 C    3.616200      0.2816000     -0.2775000    
 C   -5.521500       1.688800     -0.7711000    
 C   -5.652000      0.1185000       1.060300    
 C   -6.283100      0.9355000      0.1222000    
 C    4.519800       1.096000     -0.9763000    
 C    3.408600      0.5178000       1.089800    
 C    5.200600       2.123100     -0.3228000    
 C    4.089500       1.545100       1.743200    
 C    4.985500       2.347700       1.036800    
 H   -1.969000     -0.4322000      -1.603400    
 H   -1.607700       1.717100     -4.2800002E-02
 H   -1.676400      0.6057000       1.297600    
 H   -2.382700      -2.091800      0.2739000    
 H   -3.544700       2.213600      -1.428100    
 H   -3.778100     -0.5832000       1.840700    
 H    3.373700      -1.062300      -1.790800    
 H    3.702600      -2.924000      2.3900000E-02
 H    2.224200      -3.779900     -0.3846000    
 H    2.415700      -3.000800       1.219400    
 H   -6.013000       2.324400      -1.501900    
 H   -6.245100     -0.4677000       1.756200    
 H   -7.367500      0.9850000      8.7399997E-02
 H    4.697600      0.9341000      -2.036900    
 H    2.719300     -8.7099999E-02   1.673200    
 H    5.898000       2.748300     -0.8726000    
 H    3.922400       1.720400       2.801900    
 H    5.515500       3.147500       1.545600    


%chk=000005493-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005493

0 1
O 0.973741 0.795980 -1.297375
O -0.346098 -3.544269 0.434970
N -1.460284 -1.568116 -0.189675
N 3.304175 -1.157167 -0.428018
C -1.200456 -0.216510 -0.689276
C -1.721036 0.919447 0.242753
C 0.346004 -0.195220 -0.813766
C 0.853767 -1.488812 -0.355550
C -0.321164 -2.349126 0.000349
C -3.238771 0.930915 0.328788
C 2.180873 -1.954126 -0.382478
C -4.014033 1.569616 -0.674919
C -3.914974 0.262185 1.382800
C 2.475133 -3.441578 -0.437512
C 3.544454 0.198754 -0.030948
C -5.425333 1.540508 -0.628231
C -5.327874 0.229699 1.432402
C -6.088037 0.867562 0.425533
C 4.664684 0.856043 -0.598970
C 2.786794 0.839129 0.979249
C 5.016286 2.151909 -0.168936
C 3.147280 2.134247 1.402649
C 4.257956 2.799469 0.833404
H -1.635736 -0.066915 -1.698299
H -1.333938 1.868977 -0.171671
H -1.272647 0.779803 1.244256
H -2.391757 -1.921157 0.031313
H -3.506789 2.099944 -1.490937
H -3.330321 -0.224172 2.173805
H 4.157545 -1.656065 -0.698212
H 3.479553 -3.680875 -0.045355
H 2.400405 -3.807223 -1.479755
H 1.705301 -3.984647 0.138367
H -6.007929 2.044024 -1.408093
H -5.833129 -0.287661 2.255911
H -7.182870 0.845838 0.463689
H 5.244431 0.362635 -1.389077
H 1.937308 0.324759 1.436453
H 5.877568 2.656301 -0.620263
H 2.556747 2.625277 2.183874
H 4.527971 3.807416 1.165450


