%chk=000059535.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059535

1 1
 O    4.505800       3.175300      -1.681400    
 O    2.864900     -4.9500000E-02   3.621100    
 N    3.654800     -7.9200000E-02 -3.8300000E-02
 C    2.283100     -0.2815000     -0.5669000    
 C    4.062500       1.397700     -0.1306000    
 C    3.740300     -0.5068000       1.433300    
 C    1.910400      -1.750800     -0.4285000    
 C    4.673600     -0.9059000     -0.8352000    
 C   0.5246000      -2.073600     -0.9938000    
 C  -0.6109000      -1.355000     -0.2616000    
 C    4.093800       1.818200      -1.586700    
 C    2.764900      0.3164000       2.251200    
 C   -1.976100      -1.765500     -0.8187000    
 C   -3.112500      -1.024800     -0.1097000    
 C   -4.473700      -1.412600     -0.6914000    
 C   -5.651100     -0.7169000     -2.4000001E-03
 C   -5.634600      0.8055000     -0.1573000    
 C   -6.823500       1.447000      0.5596000    
 C   -6.796500       2.962100      0.4374000    
 H    2.272400     -3.9200000E-02  -1.634400    
 H    1.589400      0.4018000     -7.1699999E-02
 H    5.038300       1.528700      0.3517000    
 H    3.325400       2.018300      0.3853000    
 H    4.768000     -0.3140000       1.768900    
 H    3.591500      -1.585400       1.538600    
 H    1.889600      -2.076700      0.6149000    
 H    2.614800      -2.398900     -0.9594000    
 H    4.429900     -0.8665000      -1.900500    
 H    4.646400      -1.942600     -0.4865000    
 H    5.674200     -0.5046000     -0.6442000    
 H   0.3665000      -3.157400     -0.9273000    
 H   0.4970000      -1.816400      -2.059800    
 H  -0.5011000     -0.2703000     -0.3657000    
 H  -0.5653000      -1.586400      0.8093000    
 H    3.110800       1.768100      -2.060100    
 H    4.805600       1.242200      -2.181900    
 H    1.724600      0.1411000       1.969400    
 H    2.968400       1.387300       2.223000    
 H   -2.112100      -2.847300     -0.7004000    
 H   -2.012600      -1.550100      -1.893700    
 H   -2.945200      5.1800001E-02 -0.2190000    
 H   -3.090700      -1.252000      0.9628000    
 H   -4.609500      -2.497100     -0.5986000    
 H   -4.495500      -1.182100      -1.763700    
 H   -6.583700      -1.111700     -0.4241000    
 H   -5.650400     -0.9791000       1.062800    
 H   -5.655600       1.068300      -1.221600    
 H   -4.713100       1.221600      0.2630000    
 H    4.511700       3.408900      -2.625400    
 H    2.222000      0.4909000       4.111400    
 H   -7.761200       1.067800      0.1373000    
 H   -6.811200       1.173100       1.621000    
 H   -5.886100       3.375900      0.8829000    
 H   -6.837300       3.271700     -0.6118000    
 H   -7.656400       3.399500      0.9544000    


%chk=000059535-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059535

1 1
O 4.008615 3.479292 -1.258392
O 3.699145 -0.781410 3.578306
N 3.793881 -0.100867 -0.116791
C 2.323745 -0.454804 -0.491948
C 3.998045 1.424710 -0.190351
C 4.145064 -0.570018 1.310088
C 1.908077 -1.914404 -0.250039
C 4.761983 -0.802093 -1.069970
C 0.491912 -2.180615 -0.834659
C -0.641510 -1.350440 -0.185476
C 3.911090 2.058944 -1.590335
C 3.325988 0.065625 2.447116
C -2.044208 -1.791355 -0.663852
C -3.188763 -0.951390 -0.054000
C -4.587038 -1.408810 -0.532250
C -5.762228 -0.631383 0.109435
C -5.821850 0.866932 -0.270896
C -7.069337 1.583581 0.295475
C -7.127891 3.080196 -0.078651
H 2.217939 -0.205305 -1.562278
H 1.686386 0.236389 0.082872
H 4.989333 1.643990 0.241768
H 3.228845 1.896253 0.442491
H 5.217580 -0.362949 1.462891
H 3.996280 -1.660222 1.348049
H 1.888791 -2.143802 0.831694
H 2.621965 -2.611681 -0.728875
H 4.461834 -0.608763 -2.109921
H 4.740401 -1.883778 -0.875751
H 5.777871 -0.417075 -0.891523
H 0.270803 -3.255710 -0.693227
H 0.500495 -2.009631 -1.930737
H -0.517201 -0.270346 -0.412412
H -0.587221 -1.452513 0.919247
H 2.949074 1.828576 -2.092747
H 4.747743 1.735155 -2.241492
H 2.235164 0.010846 2.248546
H 3.609261 1.123302 2.616656
H -2.196228 -2.860140 -0.407845
H -2.093165 -1.726664 -1.770914
H -3.035942 0.115801 -0.312747
H -3.145868 -1.016477 1.053777
H -4.702611 -2.489500 -0.309122
H -4.645520 -1.309510 -1.636547
H -6.714408 -1.110741 -0.195807
H -5.708197 -0.728012 1.214181
H -5.817434 0.962951 -1.377414
H -4.913780 1.390725 0.092612
H 4.064376 4.032999 -2.076656
H 3.394745 -0.386841 4.433163
H -7.980622 1.072751 -0.076218
H -7.082322 1.475011 1.399340
H -6.246242 3.623716 0.311512
H -7.146337 3.214149 -1.176717
H -8.031211 3.564659 0.334341


