%chk=000052899.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052899

0 1
 O    3.488300       1.137000      1.5300000E-02
 N  -0.8194000      -2.251800     -0.1134000    
 N   -3.259200       3.065200     -0.3612000    
 C   -1.321200     -0.1321000      0.3131000    
 C   8.8200003E-02 -0.2300000      0.1434000    
 C   -1.851200      -1.391200      0.1493000    
 C   0.3768000      -1.570200     -0.1232000    
 C   -2.081600       1.099500      0.6120000    
 C    1.149500      0.6957000      0.1912000    
 C   -2.535400       1.835200     -0.6643000    
 C    1.678700      -2.032800     -0.3453000    
 C   -3.244600      -1.872600      0.2154000    
 C    2.456900      0.2474000     -2.9100001E-02
 C    2.715200      -1.096300     -0.2930000    
 C    3.159100       2.497100      0.2898000    
 H   -2.961100      0.8575000       1.223000    
 H   -1.469800       1.773800       1.225000    
 H  -0.9160000      -3.244600     -0.2770000    
 H   0.8925000       1.727300      0.3982000    
 H   -3.182600       1.182700      -1.261200    
 H   -1.664600       2.078500      -1.284700    
 H    1.880700      -3.078600     -0.5507000    
 H   -3.625200      -1.799500       1.239300    
 H   -3.891300      -1.273400     -0.4336000    
 H   -3.331900      -2.917000     -0.1021000    
 H    3.736600      -1.429200     -0.4619000    
 H   -3.484100       3.547900      -1.230100    
 H   -2.657100       3.694300      0.1684000    
 H    4.096800       3.062700      0.2879000    
 H    2.720000       2.612700       1.286700    
 H    2.527600       2.925800     -0.4958000    


%chk=000052899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052899

0 1
O 3.550220 1.133461 -0.013508
N -0.825314 -2.340767 -0.098014
N -3.250058 3.126170 -0.372511
C -1.386491 -0.163976 0.310598
C 0.052741 -0.248671 0.135221
C -1.893920 -1.462775 0.159932
C 0.378852 -1.624817 -0.118400
C -2.189719 1.085936 0.574749
C 1.093997 0.721223 0.179224
C -2.440366 1.934469 -0.700950
C 1.707697 -2.052875 -0.331565
C -3.307517 -1.969856 0.259979
C 2.418663 0.286622 -0.030974
C 2.725654 -1.085258 -0.286198
C 3.314858 2.550384 0.247761
H -3.175095 0.845579 1.014498
H -1.662571 1.720277 1.318820
H -0.920014 -3.343920 -0.239727
H 0.857798 1.771615 0.374670
H -3.004970 1.322089 -1.428929
H -1.455357 2.164317 -1.174118
H 1.952574 -3.103070 -0.525814
H -3.668780 -1.971980 1.306157
H -4.001733 -1.339760 -0.323570
H -3.396118 -3.002547 -0.123725
H 3.774050 -1.355772 -0.442716
H -3.601718 3.640338 -1.185988
H -2.808473 3.750588 0.310790
H 4.309099 3.021138 0.219911
H 2.856099 2.708673 1.244632
H 2.666512 3.004168 -0.528834


