%chk=000052342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052342

0 1
 O   0.1843000     -0.4602000      1.8200001E-02
 O   -1.191800      0.3916000      -1.620700    
 N    5.031100     -0.2630000      0.1190000    
 C    3.845200      0.1205000     -0.6372000    
 C    2.584300     -0.3491000      8.1400000E-02
 C   -2.139200     -0.7791000      0.3067000    
 C    6.205400     -0.3138000     -0.7539000    
 C    5.261000      0.6685000       1.224900    
 C    1.328100      1.8300001E-02 -0.6968000    
 C   -2.359300      -2.260900     -5.9300002E-02
 C   -3.399400      6.9700003E-02  0.2343000    
 C   -1.026500     -0.2023000     -0.5631000    
 C    6.512300       1.053300      -1.341300    
 C    6.455800      0.2432000       2.061500    
 C   -3.361500      -2.957400      0.8528000    
 C   -3.587300       1.117500       1.135900    
 C   -4.367100     -0.1993000     -0.7337000    
 C   -4.742700       1.896100       1.069600    
 C   -5.522500      0.5795000     -0.8000000    
 C   -5.710200       1.627100      0.1017000    
 H    3.849100     -0.3607000      -1.624400    
 H    3.788700       1.202800     -0.8099000    
 H    2.500300      8.4200002E-02   1.084400    
 H    2.610700      -1.436800      0.2286000    
 H   -1.790100     -0.7425000       1.349000    
 H    7.083100     -0.7207000     -0.2408000    
 H    6.018300      -1.022100      -1.571700    
 H    5.360400       1.715000      0.9158000    
 H    4.399000      0.6440000       1.901500    
 H    1.256600       1.106800     -0.8053000    
 H    1.350600     -0.4441000      -1.690500    
 H   -2.653000      -2.385600      -1.107700    
 H   -1.399800      -2.787700      3.2099999E-02
 H    5.681700       1.484400      -1.907100    
 H    6.851900       1.778700     -0.5969000    
 H    7.339500      0.9474000      -2.053900    
 H    6.410800     -0.8202000       2.321300    
 H    7.410200      0.4468000       1.566800    
 H    6.463800      0.8066000       3.001500    
 H   -3.071000      -2.854500       1.903400    
 H   -4.375400      -2.566200      0.7364000    
 H   -3.394800      -4.026700      0.6191000    
 H   -2.840200       1.339400       1.893300    
 H   -4.247700     -0.9901000      -1.466700    
 H   -4.888600       2.712500       1.770900    
 H   -6.273800      0.3738000      -1.557000    
 H   -6.609200       2.234300      4.8999999E-02


%chk=000052342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052342

0 1
O 0.136694 -0.885817 -0.096393
O -1.123042 -1.013083 -2.051729
N 4.973681 0.115152 0.220035
C 3.805247 0.018730 -0.689833
C 2.511208 -0.392742 0.052653
C -2.204331 -1.409648 0.147809
C 6.267122 -0.198492 -0.441864
C 4.972629 1.358213 1.033013
C 1.333484 -0.516783 -0.914290
C -3.008721 -2.630884 -0.395782
C -3.083221 -0.163644 0.331571
C -1.049199 -1.091963 -0.802250
C 6.763774 0.811165 -1.514340
C 5.972076 1.320912 2.204642
C -4.112349 -3.095335 0.574863
C -3.326659 0.353869 1.627710
C -3.683981 0.473601 -0.785612
C -4.160793 1.480924 1.810367
C -4.515033 1.600683 -0.604632
C -4.759243 2.107584 0.693674
H 4.033614 -0.751651 -1.452685
H 3.622007 0.972698 -1.248549
H 2.255742 0.349250 0.831322
H 2.685669 -1.355631 0.564656
H -1.762909 -1.674427 1.125354
H 7.038513 -0.303867 0.342991
H 6.162527 -1.198337 -0.905665
H 5.164056 2.268310 0.408558
H 3.955693 1.478714 1.449335
H 1.114224 0.432186 -1.439049
H 1.491592 -1.302252 -1.676931
H -3.443638 -2.360642 -1.375556
H -2.302319 -3.463212 -0.584224
H 6.028524 0.926481 -2.331717
H 6.952333 1.809995 -1.080275
H 7.711384 0.454948 -1.959651
H 5.804469 0.418046 2.818069
H 7.021787 1.315359 1.859865
H 5.838649 2.211758 2.845518
H -3.686720 -3.396595 1.550910
H -4.848008 -2.292572 0.760096
H -4.653564 -3.965140 0.160546
H -2.861559 -0.127015 2.496917
H -3.483953 0.094473 -1.794643
H -4.341118 1.867866 2.819782
H -4.970055 2.085915 -1.475716
H -5.405182 2.981901 0.832328


