%chk=000023442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023442

0 1
 O    3.602600     -0.5080000      0.2619000    
 O   -2.218700      -1.735500      -1.647800    
 O  -6.7699999E-02  -3.397700     -0.1771000    
 N  -0.9658000       1.348200     -0.2815000    
 C  -1.1700000E-02  0.3101000     -0.1410000    
 C  -0.4966000      -1.025400     -0.1718000    
 C   -1.978100      -1.310100     -0.3064000    
 C    1.378500      0.5083000      7.2899997E-02
 C    4.221100      0.7825000      8.9900002E-02
 C   -2.865800     -0.1367000      4.3000001E-02
 C   -2.344700       1.171400     -9.3999999E-03
 C    2.244500     -0.6016000      9.7300000E-02
 C   0.3868000      -2.113100     -0.1130000    
 C    1.976400       1.806000      0.3968000    
 C    1.752100      -1.901200      1.9000000E-03
 C    3.305100       1.938700      0.3860000    
 C  -0.6159000       2.558900      -1.030200    
 C    5.399200      0.8067000       1.072200    
 C    4.749100      0.8724000      -1.346400    
 C   -4.220200     -0.3482000      0.3448000    
 C   -3.213300       2.246100      0.2489000    
 C   -5.062000      0.7309000      0.6004000    
 C   -4.559400       2.026700      0.5506000    
 C  -0.3956000      -4.029300       1.057900    
 H   -2.255800      -2.130300      0.3640000    
 H    1.353500       2.649600      0.6601000    
 H    2.433600      -2.747800      3.8100000E-02
 H    3.741100       2.911200      0.5985000    
 H   -1.383700       2.796800      -1.777700    
 H   0.3103000       2.447600      -1.604800    
 H  -0.5160000       3.418600     -0.3590000    
 H    6.074300     -3.8500000E-02  0.8926000    
 H    5.980100       1.732300      0.9945000    
 H    5.048600      0.7057000       2.106600    
 H    5.297000       1.804700      -1.522000    
 H    5.416400      3.1599998E-02  -1.569000    
 H    3.930100      0.8152000      -2.073200    
 H   -4.625200      -1.356600      0.3709000    
 H   -2.852400       3.271500      0.2397000    
 H   -3.151400      -1.574800      -1.868300    
 H   -6.109000      0.5612000      0.8332000    
 H   -5.213300       2.870500      0.7516000    
 H   -1.083700      -4.853300      0.8506000    
 H  -0.8737000      -3.339400       1.760900    
 H   0.5135000      -4.437700       1.509900    


%chk=000023442-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023442

0 1
O 3.455931 -0.487622 0.681173
O -2.175214 -1.425457 -1.798937
O -0.475755 -3.321681 0.467925
N -0.995480 1.398733 -0.379280
C -0.126585 0.317765 -0.065799
C -0.681508 -0.986926 0.032369
C -2.128445 -1.209312 -0.302633
C 1.268980 0.536460 0.193945
C 4.142462 0.788829 0.224393
C -2.962135 -0.004053 0.059007
C -2.382900 1.288465 -0.111909
C 2.086794 -0.610410 0.420010
C 0.166029 -2.080469 0.361351
C 1.887833 1.836912 0.474819
C 1.556096 -1.910470 0.528005
C 3.243809 1.968090 0.558417
C -0.534332 2.571862 -1.148825
C 5.455816 0.805701 1.019162
C 4.389755 0.663413 -1.297084
C -4.321478 -0.117214 0.423070
C -3.207308 2.440820 0.000998
C -5.135214 1.028323 0.567685
C -4.571446 2.305231 0.334026
C 0.353032 -4.493217 0.758618
H -2.506436 -2.124846 0.188044
H 1.239757 2.682885 0.722585
H 2.237065 -2.736583 0.740731
H 3.715395 2.904779 0.875007
H -1.245108 2.764495 -1.973247
H 0.453066 2.358190 -1.582949
H -0.453101 3.491632 -0.537635
H 6.039279 -0.108055 0.813794
H 6.062723 1.682982 0.730752
H 5.252001 0.855736 2.102035
H 4.918330 1.559727 -1.669631
H 5.005725 -0.227771 -1.513700
H 3.433700 0.576804 -1.841886
H -4.747117 -1.118055 0.572935
H -2.784957 3.440542 -0.139074
H -3.132543 -1.512551 -2.054029
H -6.189526 0.930231 0.846194
H -5.192104 3.203576 0.428702
H -0.348935 -5.339136 0.796922
H 0.869237 -4.388342 1.732427
H 1.099010 -4.661811 -0.041384


