%chk=000043588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043588

0 1
 O  -0.9608000      -2.618000       1.051700    
 O   -2.730400      0.8934000       1.682700    
 O  -0.3789000      -2.255800      -1.110600    
 O    3.363600       1.141300      -1.773200    
 O    3.303000      -1.132100      -1.769800    
 N    1.943400     -0.4324000      0.7558000    
 N   -1.595500      0.3228000     -0.2538000    
 N   -3.276000       2.993700     -0.5386000    
 N    6.643200      -1.001900      0.1160000    
 N   -6.286100     -0.4134000       1.158500    
 N    7.580000       1.002800      0.3053000    
 N   -6.931400      -1.429700     -0.7077000    
 C   0.8537000      0.3037000      0.1090000    
 C  -0.4983000     -0.3601000      0.4198000    
 C    3.233400      9.4400004E-02  0.3424000    
 C   0.9248000       1.780200      0.5071000    
 C    4.355000     -0.6819000       1.045900    
 C   -2.651800      0.9106000      0.4497000    
 C   -3.736400       1.614000     -0.3738000    
 C  -0.5853000      -1.823100      1.6200000E-02
 C   -1.519000      0.3528000      -1.710800    
 C   -5.096300       1.619900      0.3505000    
 C    3.310600     -7.0600003E-02  -1.162300    
 C    5.732300     -0.1835000      0.6708000    
 C   -5.864400      0.3352000      0.1257000    
 C    6.295800       1.034600      0.7883000    
 C   -6.252200     -0.2760000      -1.009400    
 C    7.757900     -0.2378000     -9.1200002E-02
 C   -6.933700      -1.483100      0.6058000    
 H   0.9882000      0.2585000     -0.9728000    
 H  -0.6622000     -0.3053000       1.503900    
 H    1.849800     -0.3695000       1.769200    
 H    3.362700       1.146500      0.6152000    
 H   3.3000000E-02   2.320700      0.1722000    
 H    1.766800       2.312300      5.6499999E-02
 H   0.9789000       1.899800       1.595300    
 H    4.247700     -0.5896000       2.135000    
 H    4.280500      -1.753000      0.8125000    
 H   -3.851500       1.166300      -1.362400    
 H   -1.594600       1.382100      -2.067900    
 H  -0.6036000     -6.9899999E-02  -2.124400    
 H   -2.358800     -0.2233000      -2.112800    
 H   -4.990100       1.821700       1.423500    
 H   -5.723800       2.428000     -5.1700000E-02
 H   -3.205100       3.450500      0.3700000    
 H   -2.344700       3.017900     -0.9485000    
 H    6.539000      -1.983200     -0.1082000    
 H    5.871200       1.943500       1.188700    
 H   -1.031900      -3.558800      0.7831000    
 H   -6.157700     -0.2352000       2.146300    
 H   -6.095800      2.8500000E-02  -2.033800    
 H    3.400400       1.056900      -2.749700    
 H    8.657700     -0.6427000     -0.5320000    
 H   -7.381000      -2.259000       1.210800    


%chk=000043588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043588

0 1
O -1.041487 -2.152109 0.523603
O -2.710427 1.186860 1.602175
O -0.113748 -1.609628 -1.531725
O 2.680697 -0.570617 -2.108848
O 3.664755 -2.186978 -0.768778
N 1.760909 0.089189 0.615394
N -1.762508 0.885742 -0.508141
N -4.006035 3.487374 0.064625
N 6.175477 -1.352755 0.348976
N -4.649227 -0.993692 0.916500
N 7.852031 0.087726 0.825684
N -5.814649 -2.280578 -0.531525
C 0.759313 0.908202 -0.099898
C -0.604579 0.193762 0.115414
C 3.168197 0.085661 0.155942
C 0.713945 2.384205 0.358183
C 4.110672 -0.217857 1.349900
C -2.776459 1.332674 0.330433
C -4.007133 2.051643 -0.279265
C -0.524351 -1.248408 -0.404779
C -1.810893 1.004518 -1.985369
C -5.303430 1.392649 0.283855
C 3.239186 -1.016254 -0.916661
C 5.576834 -0.274598 1.020795
C -5.373386 -0.099833 0.108157
C 6.635257 0.597422 1.307811
C -6.086360 -0.922251 -0.774425
C 7.534933 -1.091407 0.250389
C -4.939636 -2.284490 0.495880
H 1.024814 0.856125 -1.171328
H -0.831144 0.160582 1.195856
H 1.659508 0.088361 1.636359
H 3.462176 1.049292 -0.310999
H 0.008527 2.975875 -0.253067
H 1.713702 2.845239 0.260248
H 0.394523 2.462482 1.414052
H 3.961309 0.581143 2.099433
H 3.778105 -1.169990 1.809237
H -4.019681 1.963806 -1.377239
H -1.875852 2.060162 -2.304692
H -0.892362 0.568131 -2.405833
H -2.663271 0.443760 -2.407312
H -5.366574 1.653621 1.358022
H -6.157603 1.870524 -0.223834
H -3.929888 3.650598 1.075453
H -3.347793 4.061354 -0.471907
H 5.646812 -2.144306 -0.029298
H 6.597034 1.548489 1.835851
H -1.013548 -3.072646 0.141784
H -3.985821 -0.702617 1.639851
H -6.783276 -0.621887 -1.554504
H 2.523649 -1.334395 -2.727989
H 8.239160 -1.764167 -0.232893
H -4.515100 -3.172010 0.958445


