%chk=000079606.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079606

1 1
 O   -2.986700      0.4411000     -9.1000004E-03
 O    3.259900       1.851500      0.2200000    
 O    1.595600      -3.019800     -0.5378000    
 N  -0.1113000      0.2308000      0.1573000    
 C   -1.045600     -0.1971000       1.295000    
 C  -0.8218000       1.269500     -0.7181000    
 C    1.134900      0.8795000      0.7684000    
 C   0.3548000     -0.9691000     -0.6649000    
 C   -2.401900     -0.6153000      0.7488000    
 C   -2.191100      0.7656000      -1.146700    
 C    2.085200       1.281600     -0.3421000    
 C    1.128000      -1.918300      0.2293000    
 H   -1.179100      0.6961000       1.919200    
 H  -0.5789000     -0.9622000       1.916300    
 H  -0.2170000       1.468200      -1.606600    
 H  -0.9255000       2.179900     -0.1167000    
 H   0.8054000       1.775500       1.311500    
 H    1.582200      0.2330000       1.528800    
 H  -0.5285000      -1.481800      -1.058700    
 H   0.9087000     -0.6452000      -1.550500    
 H   -2.355200      -1.527800      0.1455000    
 H   -3.076800     -0.8241000       1.585600    
 H   -2.712800       1.556900      -1.695100    
 H   -2.131100     -9.8899998E-02  -1.816600    
 H    2.441900      0.4444000     -0.9423000    
 H    1.666100       2.043600      -1.002500    
 H    2.031800      -1.487100      0.6589000    
 H   0.5308000      -2.350200       1.033500    
 H    3.839200       2.105400     -0.5188000    
 H   0.8190000      -3.460000     -0.9235000    


%chk=000079606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079606

1 1
O -3.109789 0.424013 0.123050
O 3.263760 1.771789 0.434770
O 1.180724 -3.137502 -0.882375
N -0.142540 0.229428 0.121399
C -1.033998 -0.130314 1.345038
C -0.949041 1.206731 -0.775051
C 1.105955 0.951233 0.661734
C 0.234075 -1.028744 -0.683321
C -2.439242 -0.596507 0.934422
C -2.350157 0.668955 -1.105394
C 2.111317 1.437744 -0.398091
C 1.264040 -1.962258 -0.019941
H -1.111033 0.794113 1.941940
H -0.504270 -0.896972 1.934079
H -0.361946 1.388222 -1.690414
H -1.037361 2.144184 -0.199692
H 0.754246 1.810370 1.257113
H 1.627268 0.257923 1.342518
H -0.682683 -1.612597 -0.854003
H 0.610670 -0.701604 -1.665556
H -2.426990 -1.571883 0.405879
H -3.050959 -0.709708 1.843573
H -2.906528 1.443167 -1.657021
H -2.312078 -0.244098 -1.734464
H 2.362914 0.643230 -1.130903
H 1.728608 2.322207 -0.945534
H 2.281084 -1.521903 -0.022920
H 0.985491 -2.208199 1.026842
H 3.937866 2.285875 -0.075778
H 1.890798 -3.791193 -0.663801


