%chk=000037072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037072

0 1
 O    4.635700     -0.9111000      0.2406000    
 O   0.8835000      0.8102000     -0.2347000    
 O   -2.572300      0.3258000     -0.9982000    
 O  -0.1785000     -0.7513000      -1.562400    
 O   -3.876600      -2.013800     -0.2555000    
 N    7.013100      0.6461000      0.3723000    
 C    4.616500      0.4696000     -0.1417000    
 C    5.696400       1.235200      0.6277000    
 C    3.230400       1.018400      0.1667000    
 C    7.007300     -0.7745000      0.7245000    
 C    5.906400      -1.502000     -3.7000000E-02
 C    2.144100      0.2376000     -0.5536000    
 C  -0.2070000      0.2141000     -0.8112000    
 C   -1.456900      0.9335000     -0.3775000    
 C   -3.768400      0.3769000     -0.3240000    
 C   -4.413100     -0.7977000      4.2300001E-02
 C   -4.317300       1.615700     -1.8200001E-02
 C   -5.627200     -0.7322000      0.7261000    
 C   -5.531300       1.681100      0.6659000    
 C   -6.186200      0.5072000       1.037800    
 C   -2.998700      -2.589000      0.7102000    
 H    4.798300      0.5384000      -1.223000    
 H    5.494200       1.209800       1.705900    
 H    5.707000       2.285500      0.3171000    
 H    3.167100       2.079100     -0.1055000    
 H    3.031400      0.9673000       1.245300    
 H    7.979800      -1.214700      0.4821000    
 H    6.851800     -0.8813000       1.804900    
 H    5.862500      -2.548700      0.2799000    
 H    6.086100      -1.490300      -1.118800    
 H    7.715900       1.131400      0.9291000    
 H    2.146900     -0.8124000     -0.2395000    
 H    2.302000      0.2874000      -1.637500    
 H   -1.525500      0.8673000      0.7150000    
 H   -1.391300       1.978100     -0.6985000    
 H   -3.821500       2.537200     -0.3095000    
 H   -6.143300      -1.642700       1.018600    
 H   -5.967700       2.646000      0.9069000    
 H   -7.131700      0.5581000       1.569800    
 H   -2.638400      -3.544400      0.3191000    
 H   -2.137600      -1.937500      0.8882000    
 H   -3.530500      -2.773100       1.648900    


%chk=000037072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037072

0 1
O 5.002590 -0.617246 0.849834
O 0.973695 0.434188 0.121095
O -2.540902 -0.307427 -0.123412
O -0.108165 -1.566119 -0.422903
O -4.835220 -1.781638 -0.956146
N 7.178063 0.851957 -0.277810
C 4.766788 0.371322 -0.230582
C 5.841535 1.477138 -0.175074
C 3.345781 0.908369 -0.015910
C 7.429503 -0.114845 0.813879
C 6.350664 -1.208698 0.744180
C 2.304395 -0.203751 -0.134608
C -0.143929 -0.379589 -0.044573
C -1.380845 0.426809 0.345887
C -3.814655 0.169849 0.248309
C -4.928463 -0.617661 -0.181933
C -4.030859 1.363854 0.975496
C -6.234592 -0.162839 0.108179
C -5.345730 1.797431 1.262622
C -6.449899 1.037459 0.820798
C -3.827023 -2.810896 -0.607143
H 4.855568 -0.149440 -1.211401
H 5.698088 2.051459 0.774521
H 5.699907 2.170250 -1.024953
H 3.134484 1.696675 -0.763079
H 3.280289 1.366253 0.988125
H 8.427715 -0.570624 0.677797
H 7.393193 0.355157 1.827483
H 6.426941 -1.912270 1.589621
H 6.443395 -1.758215 -0.216305
H 7.933883 1.536252 -0.396483
H 2.469609 -0.997046 0.613070
H 2.284440 -0.660937 -1.140851
H -1.390862 0.542287 1.450384
H -1.321637 1.436322 -0.106404
H -3.183088 1.974109 1.302942
H -7.069554 -0.778126 -0.241453
H -5.498075 2.726590 1.821682
H -7.471795 1.368314 1.033194
H -4.061485 -3.656052 -1.272425
H -2.801900 -2.447508 -0.776035
H -3.946447 -3.120815 0.448985


