%chk=000125714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125714

0 1
 O   0.1071000      0.8799000     -0.1967000    
 O    3.794400      -1.677800      -1.232800    
 O  -0.3997000      0.5689000       2.027200    
 N    4.085400     -0.5997000     -0.2897000    
 C    3.814100      0.6778000      -1.010200    
 C    3.280400     -0.8793000      0.9345000    
 C    2.301100      0.9373000      -1.199500    
 C    1.773200     -0.6032000      0.7236000    
 C    1.498600      0.7605000      8.9599997E-02
 C    4.473100       1.873700     -0.2847000    
 C    4.488300      0.6414000      -2.409900    
 C    3.806800     -6.8200000E-02   2.141000    
 C    3.457500      -2.366800       1.347800    
 C  -0.7312000      0.7635000      0.8680000    
 C   -2.145500      0.9045000      0.4383000    
 C   -2.901600     -0.1967000      4.8500001E-02
 C   -2.657500       2.190400      0.4502000    
 C   -4.243300      1.4400000E-02 -0.3487000    
 C   -2.379100      -1.500200      3.7400000E-02
 C   -3.977200       2.398000      5.9900001E-02
 C   -4.766100       1.318000     -0.3373000    
 C   -5.023200      -1.084100     -0.7455000    
 C   -3.168000      -2.579900     -0.3601000    
 C   -4.487600      -2.372300     -0.7508000    
 H    1.893900      0.2526000      -1.957100    
 H    2.125800       1.943700      -1.602100    
 H    1.278200     -0.7519000       1.685100    
 H    1.344600      -1.375000      6.7500003E-02
 H    1.760600       1.566300      0.7848000    
 H    4.517800       2.752800     -0.9398000    
 H    5.503500       1.640300      8.1000002E-03
 H    3.931100       2.201100      0.6017000    
 H    5.561100      0.4307000      -2.327400    
 H    4.044700     -0.1152000      -3.066900    
 H    4.378200       1.602800      -2.926000    
 H    3.419200     -0.4724000       3.084600    
 H    4.900600     -0.1108000       2.200500    
 H    3.504200      0.9786000       2.129500    
 H    3.035000      -3.057500      0.6095000    
 H    2.948600      -2.577400       2.296100    
 H    4.516900      -2.617800       1.478300    
 H    4.681400      -2.070200      -1.303400    
 H   -2.051300       3.037900      0.7576000    
 H   -1.354000      -1.705800      0.3359000    
 H   -4.393600       3.401100      6.4000003E-02
 H   -5.795000       1.503700     -0.6385000    
 H   -6.057000     -0.9452000      -1.054800    
 H   -2.752000      -3.583200     -0.3643000    
 H   -5.101400      -3.213500      -1.059900    


%chk=000125714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125714

0 1
O 0.029908 0.350988 -0.017444
O 3.781471 -2.142762 -0.552141
O -0.269883 1.729375 1.824645
N 4.207034 -0.760670 -0.045097
C 3.704890 0.201680 -1.131625
C 3.530502 -0.643696 1.328736
C 2.144834 0.223655 -1.196710
C 1.975968 -0.597619 1.196569
C 1.519607 0.461376 0.181244
C 4.293922 1.618386 -0.879876
C 4.272133 -0.286415 -2.487627
C 4.085527 0.603457 2.072046
C 3.941698 -1.884102 2.160101
C -0.771434 1.041456 0.894263
C -2.250978 0.917823 0.660508
C -2.914770 0.072871 -0.319779
C -3.021817 1.732792 1.513320
C -4.370193 0.116191 -0.375498
C -2.246048 -0.812148 -1.234571
C -4.440232 1.765749 1.444736
C -5.103465 0.968879 0.511388
C -5.076141 -0.700093 -1.321240
C -2.964605 -1.596516 -2.141553
C -4.391220 -1.544836 -2.193188
H 1.797283 -0.753947 -1.579861
H 1.814502 1.006536 -1.904473
H 1.529380 -0.390426 2.185617
H 1.623529 -1.587396 0.851226
H 1.709986 1.480421 0.562147
H 4.247089 2.193217 -1.822079
H 5.352057 1.542456 -0.575135
H 3.751652 2.198092 -0.118115
H 5.375816 -0.336714 -2.444501
H 3.879634 -1.280547 -2.749998
H 3.989884 0.426070 -3.283749
H 3.871262 0.496764 3.150369
H 5.179910 0.668256 1.942333
H 3.635423 1.553718 1.748679
H 3.558977 -2.812847 1.710152
H 3.533148 -1.794666 3.182707
H 5.043230 -1.948367 2.232660
H 4.659524 -2.596216 -0.634679
H -2.488523 2.350931 2.242430
H -1.157970 -0.859781 -1.213350
H -5.001049 2.416020 2.123756
H -6.198065 0.981891 0.444088
H -6.171299 -0.646538 -1.342356
H -2.423547 -2.261460 -2.824277
H -4.937443 -2.165491 -2.911700


