%chk=000073316.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073316

0 1
 O    1.837800     -1.5100000E-02   1.178400    
 O    3.842100      -1.783600     -0.3140000    
 O    3.980900       2.169800     -0.7885000    
 O   -3.700600      0.6129000     -0.9562000    
 O   -1.100500      -2.699600      0.3184000    
 N  -0.3062000     -0.5122000      0.3839000    
 N   -2.613800     -0.9985000      0.3131000    
 C    1.063100     -0.9368000      0.3985000    
 C    1.679900     -0.9854000     -0.9900000    
 C    3.121700     -0.6220000     -0.7201000    
 C    3.018900      0.3563000      0.4418000    
 C    2.852600       1.800600     -1.2500000E-02
 C  -0.5842000      0.8387000      0.4203000    
 C   -1.314800      -1.484200      0.3334000    
 C   -1.833500       1.319700      0.3712000    
 C   -3.007700      0.3986000      0.2666000    
 C   -2.113900       2.792300      0.4343000    
 C   -4.821700     -0.2517000      -1.078600    
 H    1.151700      -1.916400      0.8833000    
 H    1.226500     -0.2368000      -1.650900    
 H    1.549200      -1.968600      -1.453100    
 H    3.623500     -0.2238000      -1.606400    
 H    3.881800      0.2724000       1.112100    
 H    2.754800       2.479700      0.8409000    
 H    1.971900       1.937900     -0.6441000    
 H   0.2399000       1.530000      0.4996000    
 H   -3.684300      0.5718000       1.112600    
 H    4.751300      -1.505100     -0.1105000    
 H   -3.350500      -1.695800      0.3521000    
 H   -2.618500       3.125100     -0.4783000    
 H   -1.198600       3.383900      0.5423000    
 H   -2.758400       3.018500       1.290000    
 H    4.767400       2.083500     -0.2230000    
 H   -5.463400      0.1483000      -1.869600    
 H   -5.410200     -0.2908000     -0.1562000    
 H   -4.514800      -1.254500      -1.390300    


%chk=000073316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073316

0 1
O 1.853447 -0.011095 1.070567
O 3.622367 -1.830569 -0.971372
O 4.824748 1.996117 -0.046187
O -3.742631 0.200934 -1.005321
O -1.005746 -2.580352 1.010218
N -0.386330 -0.412407 0.303269
N -2.616567 -0.896865 0.898185
C 1.005903 -0.815030 0.132211
C 1.613756 -0.540257 -1.260144
C 3.118914 -0.446248 -0.972524
C 3.178257 0.201292 0.441568
C 3.449403 1.717107 0.399840
C -0.756902 0.944081 0.165242
C -1.316806 -1.381920 0.744406
C -2.045875 1.377361 0.216877
C -3.143168 0.351550 0.354552
C -2.448675 2.824716 0.081109
C -4.974572 -0.596272 -1.006039
H 1.064825 -1.881841 0.403854
H 1.231414 0.410305 -1.672085
H 1.398432 -1.351033 -1.972403
H 3.673804 0.167582 -1.707846
H 3.943515 -0.305077 1.066605
H 3.237473 2.158704 1.393576
H 2.804317 2.208979 -0.348085
H 0.081424 1.637257 0.058940
H -3.958020 0.702070 1.027397
H 4.591657 -1.825457 -0.767645
H -3.265219 -1.589519 1.275614
H -3.145215 2.952173 -0.768526
H -1.573309 3.475414 -0.088898
H -2.969018 3.190624 0.988962
H 5.453250 1.788890 0.690289
H -5.388424 -0.512874 -2.022966
H -5.715579 -0.203785 -0.275673
H -4.775448 -1.665455 -0.787067


