%chk=000018254.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018254

0 1
 O   -1.150300       1.188000     -0.3171000    
 O   0.6191000      0.6714000       1.619900    
 O   0.7266000       2.150300      -1.233200    
 N   -3.682600     -0.3146000      0.2604000    
 C   -3.430500       1.812400     -0.7017000    
 C   -3.702700       1.956400      0.8024000    
 C   -3.824000      0.3693000      -1.026200    
 C   -4.256900      0.6071000       1.239700    
 C   -1.967500       2.100900      -1.030500    
 C   -4.336600      -1.615000      0.2728000    
 C   0.9689000      0.2472000      0.2866000    
 C   0.2069000       1.314100     -0.5037000    
 C   0.4342000      -1.165100      3.9200000E-02
 C    2.486900      0.2973000      9.6199997E-02
 C   0.3593000      -2.036400       1.101400    
 C    2.984500      0.5822000      -1.154300    
 C   4.8300002E-02  -1.509600      -1.235800    
 C    3.295100      5.5700000E-02   1.183100    
 C    1.055600       1.995200       1.854900    
 C  -0.1282000      -3.323800      0.8762000    
 C    4.367700      0.6281000      -1.327900    
 C  -0.4393000      -2.796900      -1.461000    
 C    4.678400      0.1017000       1.009500    
 C  -0.5275000      -3.703900     -0.4049000    
 C    5.214600      0.3879000     -0.2461000    
 H   -4.060100       2.508700      -1.268200    
 H   -2.796200       2.203300       1.367200    
 H   -4.430800       2.752300      0.9944000    
 H   -3.195400     -8.0499999E-02  -1.802000    
 H   -4.865300      0.3467000      -1.374400    
 H   -5.353400      0.6219000       1.192600    
 H   -3.954900      0.3616000       2.262700    
 H   -1.714900       3.128100     -0.7417000    
 H   -1.797800       1.982800      -2.107300    
 H   -5.410100      -1.547400      6.3299999E-02
 H   -3.882400      -2.276400     -0.4730000    
 H   -4.206500      -2.097000       1.247800    
 H   0.6727000      -1.764600       2.104100    
 H    2.362200      0.7110000      -2.032500    
 H   0.1194000     -0.8235000      -2.073600    
 H    2.903000     -0.1890000       2.165000    
 H    1.934300       2.345500       1.306100    
 H   0.2286000       2.692100       1.676700    
 H    1.290100       2.074700       2.921800    
 H  -0.1953000      -4.030800       1.697900    
 H    4.785900      0.8359000      -2.308500    
 H  -0.7486000      -3.093800      -2.459000    
 H    5.338200     -9.0700001E-02   1.850500    
 H  -0.9069000      -4.706300     -0.5804000    
 H    6.291600      0.4191000     -0.3823000    


%chk=000018254-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018254

0 1
O -0.967714 1.568453 -0.119059
O 0.763468 0.438644 1.525447
O 0.306853 1.288198 -2.045212
N -4.044375 -0.273924 0.689887
C -3.400087 1.804227 -0.389238
C -3.629570 1.997844 1.142577
C -3.689724 0.288066 -0.642037
C -4.583790 0.842253 1.501850
C -2.031569 2.279565 -0.889475
C -4.862364 -1.491746 0.646848
C 1.045300 0.213338 0.093909
C 0.133579 1.094435 -0.819517
C 0.555948 -1.232700 -0.175248
C 2.556325 0.386096 -0.167952
C -0.617186 -1.694762 0.472401
C 3.125305 1.175277 -1.196127
C 1.225660 -2.072382 -1.096745
C 3.423028 -0.302340 0.724770
C 1.119630 1.769600 2.037047
C -1.090987 -3.001226 0.221679
C 4.531727 1.280367 -1.320588
C 0.742852 -3.376007 -1.349866
C 4.822583 -0.197911 0.598989
C -0.413495 -3.847580 -0.686967
C 5.385741 0.597794 -0.427650
H -4.147488 2.407726 -0.943583
H -2.675218 1.864421 1.679567
H -4.046415 2.990937 1.386595
H -2.816338 -0.248830 -1.056491
H -4.530932 0.179718 -1.371007
H -5.639463 1.103831 1.223915
H -4.569107 0.585528 2.576547
H -1.888054 3.359065 -0.697293
H -1.881481 2.079696 -1.965675
H -5.862873 -1.336877 0.165397
H -4.332722 -2.277070 0.077866
H -5.031215 -1.868289 1.672029
H -1.152154 -1.035157 1.161580
H 2.479749 1.687923 -1.913207
H 2.121833 -1.712091 -1.611897
H 2.981722 -0.907891 1.523952
H 2.200503 1.976695 1.917002
H 0.525776 2.560766 1.541734
H 0.866506 1.735905 3.108400
H -1.991186 -3.354088 0.737842
H 4.955675 1.894712 -2.123086
H 1.270308 -4.020918 -2.061698
H 5.473165 -0.735491 1.298077
H -0.784121 -4.860979 -0.879876
H 6.473792 0.680776 -0.529312


