%chk=000073488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073488

0 1
 O    2.263100      -1.159200      -2.126700    
 O    2.926500       1.873200     -6.3100003E-02
 O   -1.440100      -3.324400      0.5077000    
 O   -1.489800       1.928100     -0.5002000    
 O    3.044200       3.289400       1.748100    
 O   -6.580800       1.546700      0.1749000    
 N    3.095700      -1.163200       1.545900    
 N   0.9867000      -1.921000     -0.2740000    
 N   -3.833100      0.8386000      0.3120000    
 N    4.787000       3.118300      0.2582000    
 C    3.151200      -1.086900      8.8100001E-02
 C    1.933000     -0.8927000     -0.7633000    
 C    2.997500      -2.399900      0.7903000    
 C    1.640400      -2.972200      0.4948000    
 C    1.117400      0.4383000     -0.6759000    
 C  -0.2625000      -1.377600     -9.2799999E-02
 C  -0.2690000     -6.6200003E-02 -0.3277000    
 C    1.628600       1.465200      0.3294000    
 C   -1.461800      -2.113900      0.3134000    
 C   -1.493400      0.7307000     -0.2317000    
 C    3.044600     -0.1132000      -2.681500    
 C   -2.718100      -1.306400      0.4646000    
 C   -2.741700      2.0000000E-02  0.2096000    
 C   -3.911200      -2.109300      0.9110000    
 C    3.539800       2.802400      0.7376000    
 C   -4.387000       1.557500     -0.8032000    
 C   -5.567200       2.397600     -0.3455000    
 H    4.112700     -0.8406000     -0.3323000    
 H    3.816900      -3.096900      0.8479000    
 H    2.177500     -0.8971000       1.897200    
 H    1.727400      -3.878300     -0.1127000    
 H    1.108400      -3.207700       1.422300    
 H    1.030700      0.9284000      -1.650700    
 H    1.634400       1.078900       1.353300    
 H   0.9745000       2.345700      0.3202000    
 H    3.738300      0.3677000      -1.989600    
 H    2.405400      0.6375000      -3.154700    
 H    3.644400     -0.5518000      -3.485800    
 H   -4.839200      -1.532000      0.9313000    
 H   -3.744800      -2.504800       1.918500    
 H   -4.079100      -2.951500      0.2307000    
 H   -4.521900      0.5119000      0.9831000    
 H   -4.727100      0.8361000      -1.556000    
 H   -3.661400       2.220600      -1.280600    
 H    5.153800       2.686900     -0.5836000    
 H    5.380200       3.791800      0.7311000    
 H   -5.990800       2.947300      -1.191400    
 H   -5.281200       3.119600      0.4268000    
 H   -6.316800       1.283600       1.072200    


%chk=000073488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073488

0 1
O 2.450747 -1.314740 -2.007189
O 2.908533 2.035578 -0.340231
O -1.360339 -3.417412 0.634767
O -1.531397 1.952445 -0.764381
O 2.929307 3.673638 1.357806
O -6.547251 1.320326 0.242175
N 2.764287 -1.204283 1.831171
N 1.008233 -1.933135 -0.248569
N -3.970290 0.572227 -0.066060
N 4.693889 3.440505 -0.174414
C 3.114680 -1.066677 0.360359
C 1.984863 -0.888872 -0.669295
C 2.937954 -2.448487 0.983003
C 1.666068 -3.088175 0.398184
C 1.135686 0.437867 -0.753942
C -0.251495 -1.407028 -0.118286
C -0.274596 -0.050482 -0.429697
C 1.575905 1.591765 0.155427
C -1.470818 -2.177297 0.296761
C -1.493168 0.701415 -0.454593
C 3.555109 -0.520874 -2.568917
C -2.717236 -1.440367 0.289548
C -2.760683 -0.075332 -0.076033
C -3.975709 -2.183383 0.688196
C 3.471900 3.113925 0.375815
C -4.329795 1.954580 -0.431010
C -5.530366 2.380114 0.418099
H 4.085972 -0.613510 0.160334
H 3.779127 -3.091873 1.249540
H 1.760468 -1.008632 2.022552
H 1.932500 -3.853890 -0.352856
H 0.985872 -3.539795 1.137830
H 1.179619 0.798100 -1.799269
H 1.670517 1.297969 1.215243
H 0.860190 2.426735 0.075186
H 4.525148 -0.787079 -2.105100
H 3.380796 0.565972 -2.451470
H 3.582230 -0.783585 -3.638073
H -4.722653 -2.214154 -0.131386
H -4.467032 -1.733460 1.575064
H -3.711087 -3.222738 0.939466
H -4.800892 0.008308 0.153953
H -4.604176 1.998135 -1.504719
H -3.469819 2.622425 -0.284260
H 5.052446 2.941241 -0.984080
H 5.220965 4.204558 0.238377
H -5.906865 3.358695 0.059835
H -5.237776 2.462895 1.484896
H -7.337267 1.501041 0.807439


