%chk=000098092.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098092

0 1
 O    3.849000     -0.5564000      -2.392100    
 O    3.849300     -0.5510000       2.393300    
 O    7.537100      0.7558000     -1.3000000E-03
 O   -4.688800       2.625700     -1.1000000E-03
 O   -2.951800      -1.817800      3.8000001E-03
 O   -7.489100      -1.030300      7.9999998E-04
 N    5.673600      0.1016000      -1.173200    
 N    5.674000      0.1039000       1.172500    
 N   -6.073800      0.7857000     -2.0000001E-03
 N   -5.217500      -1.404900      1.9999999E-04
 C    3.634400     -0.5919000      6.0000003E-04
 C    4.372900     -0.3537000      -1.295600    
 C    4.373200     -0.3510000       1.296200    
 C    2.407300      0.2596000     -1.9999999E-04
 C    6.373700      0.3492000     -7.9999998E-04
 C    1.160200     -0.2334000      3.9999999E-04
 C   -3.691900      0.4541000     -1.9999999E-04
 C  -2.0300001E-02  0.6021000     -1.9999999E-04
 C   -2.446000      0.9411000     -7.9999998E-04
 C   -1.266800      0.1060000      5.0000002E-04
 C   -4.832700       1.406700     -1.5000000E-03
 C   -3.884300      -1.019500      1.2000001E-03
 C   -6.341500     -0.5816000     -6.0000003E-04
 H    3.376500      -1.660000      1.8000000E-03
 H    2.556800       1.338400     -1.2000001E-03
 H    6.175500      0.2698000      -2.040700    
 H    6.176100      0.2739000       2.039600    
 H    1.015000      -1.310800      1.4000000E-03
 H   0.1365000       1.678500     -1.3000000E-03
 H   -2.273100       2.014900     -2.0999999E-03
 H   -1.246800     -0.9653000      8.9999998E-04
 H   -6.883300       1.400400     -2.4999999E-03
 H   -5.395500      -2.405600      1.4000000E-03


%chk=000098092-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000098092

0 1
O 4.337607 -1.123405 -2.385112
O 4.339624 -1.116629 2.388574
O 6.999325 1.867836 -0.003627
O -4.362401 2.661912 -0.001560
O -3.415439 -2.119700 0.000639
O -7.776646 -0.505256 -0.000931
N 5.580000 0.435075 -1.188399
N 5.580945 0.438464 1.186375
N -6.031097 1.053149 -0.001026
N -5.561072 -1.256671 0.000158
C 3.807671 -0.843708 0.001568
C 4.591595 -0.562538 -1.294122
C 4.592755 -0.558991 1.295730
C 2.549778 0.014472 0.000939
C 6.108738 0.985980 -0.002006
C 1.281947 -0.505954 0.000889
C -3.683177 0.316956 -0.000240
C 0.090207 0.317627 0.000288
C -2.339870 0.674379 -0.000271
C -1.195738 -0.197196 0.000256
C -4.671561 1.435585 -0.000765
C -4.155742 -1.091138 0.000391
C -6.545423 -0.253674 -0.000954
H 3.526880 -1.908944 0.003123
H 2.698420 1.104132 0.000480
H 6.034410 0.742118 -2.055254
H 6.036019 0.748014 2.051990
H 1.144926 -1.595933 0.001353
H 0.229445 1.410135 -0.000124
H -2.155544 1.760016 -0.000698
H -1.368847 -1.278816 0.000623
H -6.723314 1.808534 -0.001554
H -5.906522 -2.221627 0.000465


