%chk=000041352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041352

0 1
 O   0.2918000       1.269300      0.4113000    
 O   0.7043000      -1.605500      0.3018000    
 O    1.416400       3.843900      0.3161000    
 O   -2.278000       2.158100      0.1682000    
 O   -3.841400      -2.423300     -0.2608000    
 O   -5.450900     -0.3553000     -0.3317000    
 N    3.792400       1.037700     -0.1156000    
 C    5.628700     -0.6229000      8.5299999E-02
 C    2.015700       2.745200     -0.3767000    
 C    4.837900      0.5094000      0.7501000    
 C    3.082100       2.131200      0.5335000    
 C   0.9185000       1.759000     -0.7718000    
 C  -0.7303000      0.3813000      0.2476000    
 C  -0.5094000     -0.9941000      0.1975000    
 C   -1.513000      -1.942900      3.1300001E-02
 C   -2.059000      0.7994000      0.1189000    
 C   -3.097000     -0.1239000     -4.9699999E-02
 C    6.316600     -0.1092000      -1.180100    
 C    4.730500      -1.814100     -0.2560000    
 C   -2.843900      -1.504500     -9.6199997E-02
 C  -0.8574000      -3.202700      3.7099998E-02
 C   0.4829000      -2.942000      0.2033000    
 C   -4.480300      0.3737000     -0.1800000    
 C    1.669800      -3.804200      0.2914000    
 C   -4.655100       1.836900     -0.1199000    
 C   -3.571900       2.599400      4.4900000E-02
 H    6.400400     -0.9596000      0.7885000    
 H    2.478400       3.146500      -1.286200    
 H    4.391900      0.1275000       1.677100    
 H    5.534900       1.308900       1.032400    
 H    2.619400       1.789800       1.468300    
 H    3.788400       2.921800      0.8198000    
 H    4.194500       1.377600     -0.9876000    
 H    1.328100      0.9255000      -1.353600    
 H   0.1670000       2.277100      -1.380000    
 H    7.009800     -0.8667000      -1.563000    
 H    6.900300      0.7942000     -0.9738000    
 H    5.608500      0.1116000      -1.985200    
 H    3.958800      -1.554400     -0.9881000    
 H    4.236200      -2.187400      0.6462000    
 H    5.323400      -2.634500     -0.6743000    
 H   -1.309300      -4.179300     -6.7599997E-02
 H    2.119700       4.486900      0.5101000    
 H    2.246400      -3.577300       1.193200    
 H    1.386300      -4.860700      0.3315000    
 H    2.313300      -3.660800     -0.5814000    
 H   -5.648800       2.256500     -0.2102000    
 H   -3.611200       3.678600      9.9200003E-02
 H   -4.702000      -1.983800     -0.3346000    


%chk=000041352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041352

0 1
O 0.469285 1.413650 0.956183
O 0.965352 -1.428984 1.350497
O 1.745723 3.991478 1.621451
O -1.986782 2.073066 -0.388698
O -3.143101 -2.701747 -0.623063
O -4.690426 -0.899718 -1.551771
N 3.842101 1.291096 0.000035
C 4.599768 -0.919690 -0.949704
C 2.216024 3.079187 0.566941
C 4.311594 -0.075092 0.320674
C 3.254987 2.066004 1.105641
C 0.984252 2.404457 -0.029501
C -0.427277 0.455293 0.488286
C -0.182718 -0.916228 0.730188
C -1.057894 -1.985473 0.384567
C -1.663728 0.713928 -0.149379
C -2.584096 -0.319514 -0.536021
C 5.718252 -0.293614 -1.819893
C 3.316775 -1.161632 -1.777583
C -2.279067 -1.695258 -0.265616
C -0.409136 -3.208540 0.817819
C 0.793941 -2.856467 1.392842
C -3.847078 0.023072 -1.191450
C 1.911990 -3.612832 2.026607
C -4.104477 1.441923 -1.405760
C -3.190741 2.379970 -1.001497
H 4.970971 -1.901336 -0.583540
H 2.683969 3.671376 -0.254709
H 3.507880 -0.566925 0.900465
H 5.230014 -0.074645 0.960940
H 2.734352 1.374951 1.789693
H 4.014016 2.627102 1.711053
H 4.539723 1.827813 -0.529748
H 1.278192 1.873292 -0.953859
H 0.204552 3.157262 -0.235797
H 6.005000 -0.976025 -2.640952
H 6.626486 -0.081740 -1.223325
H 5.379568 0.650902 -2.288054
H 2.882909 -0.196289 -2.094652
H 2.551560 -1.693214 -1.181609
H 3.531187 -1.764408 -2.679811
H -0.801464 -4.216418 0.709613
H 2.513756 4.241340 2.196101
H 2.061195 -3.302814 3.077330
H 1.692008 -4.692356 2.010901
H 2.865836 -3.444557 1.492249
H -5.036722 1.748222 -1.884365
H -3.303571 3.460284 -1.112082
H -3.960538 -2.242252 -1.077136


