%chk=000065680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065680

0 1
 O    4.538500      -3.071500      0.7808000    
 O    1.032900     -0.9706000       1.537500    
 O    4.165000      -1.206400       2.037100    
 O   -1.293400       2.534200      -1.653200    
 O   -1.490600       3.513400      0.3818000    
 N    2.633400     -6.8400003E-02  0.1206000    
 N  -0.4216000       1.237400       1.511700    
 C    4.129800      -1.251600      -1.437700    
 C    3.102500       1.023000     -0.7647000    
 C    3.229500      -1.375700     -0.1874000    
 C    5.249600     -0.2206000      -1.187300    
 C    3.258300     -0.7088000      -2.590100    
 C    4.636600       1.096200     -0.6912000    
 C    2.675900      0.6631000      -2.200600    
 C    1.546600      8.3999997E-03  0.9905000    
 C    4.013500      -1.841900       1.004300    
 C    1.002700       1.386800       1.265400    
 C    1.702800       1.990400       2.466700    
 C   -1.159100       1.104200      0.2612000    
 C   -2.514500      0.4402000      0.5414000    
 C   -1.340400       2.504800     -0.2969000    
 C   -3.386000      0.2208000     -0.7051000    
 C   -4.684900     -0.5007000     -0.4415000    
 C   -4.736900      -1.892800     -0.5159000    
 C   -5.833300      0.2240000     -0.1229000    
 C   -5.937400      -2.559800     -0.2720000    
 C   -7.033700     -0.4431000      0.1211000    
 C   -7.085700      -1.835100      4.6500001E-02
 H    4.564400      -2.217200      -1.718200    
 H    2.714300       2.002000     -0.4965000    
 H    2.412000      -2.087900     -0.3552000    
 H    5.972400     -0.5955000     -0.4538000    
 H    5.813400     -4.4500001E-02  -2.111600    
 H    3.849600     -0.6151000      -3.508700    
 H    2.443600      -1.409200      -2.810000    
 H    5.011600       1.929900      -1.296200    
 H    4.953200       1.283300      0.3422000    
 H    1.582100      0.6309000      -2.275500    
 H    3.023000       1.428900      -2.904200    
 H    1.122600       2.078000      0.4352000    
 H  -0.7881000       2.016000       2.058300    
 H    1.304700       2.983800       2.701000    
 H    2.777100       2.097000       2.279100    
 H    1.591300       1.362000       3.358300    
 H    5.057600      -3.393100       1.548400    
 H  -0.6118000      0.4916000     -0.4658000    
 H   -2.342600     -0.5303000       1.026700    
 H   -3.084200       1.045600       1.260400    
 H   -3.616100       1.184600      -1.176100    
 H   -2.813300     -0.3405000      -1.455200    
 H   -1.400500       3.444300      -2.003200    
 H   -3.848400      -2.468400     -0.7610000    
 H   -5.804700       1.308600     -5.9599999E-02
 H   -5.977900      -3.643700     -0.3295000    
 H   -7.927900      0.1210000      0.3698000    
 H   -8.020300      -2.354500      0.2369000    


%chk=000065680-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065680

0 1
O 3.811947 -3.407864 -0.097412
O 1.028965 -1.204654 0.403580
O 4.020854 -1.797392 1.563730
O -1.525150 1.235972 -2.454104
O -1.266305 2.976378 -0.942332
N 2.796991 0.102683 -0.269477
N -0.575012 0.995513 1.086094
C 4.727271 -0.716170 -1.552729
C 3.591358 1.346702 -0.484760
C 3.440740 -1.132043 -0.772801
C 5.730881 -0.012174 -0.599509
C 4.300300 0.276515 -2.668743
C 4.995560 1.149318 0.145892
C 3.725600 1.577528 -2.014141
C 1.551774 -0.046384 0.327985
C 3.761512 -2.092469 0.378845
C 0.869219 1.221608 0.895457
C 1.488583 1.565507 2.274213
C -1.386653 0.638194 -0.083096
C -2.838197 0.336448 0.388649
C -1.388476 1.746739 -1.152699
C -3.773557 -0.253120 -0.700296
C -5.124673 -0.643170 -0.116465
C -5.291921 -1.885856 0.549057
C -6.233662 0.238450 -0.187191
C -6.531270 -2.238484 1.128077
C -7.476144 -0.108646 0.391479
C -7.629066 -1.349389 1.052348
H 5.173962 -1.624204 -1.994947
H 3.074781 2.193020 -0.008190
H 2.747494 -1.670882 -1.443806
H 6.150926 -0.729182 0.127228
H 6.576728 0.372316 -1.199238
H 5.175435 0.508739 -3.302835
H 3.545119 -0.199320 -3.321574
H 5.562329 2.095710 0.072326
H 4.876986 0.904852 1.215920
H 2.739970 1.833382 -2.442583
H 4.393857 2.441764 -2.187192
H 1.060452 2.070005 0.193666
H -0.996521 1.763886 1.624704
H 1.014037 2.474044 2.690226
H 2.574286 1.747708 2.204564
H 1.319702 0.726653 2.969679
H 4.022311 -4.020907 0.657857
H -0.970804 -0.278721 -0.534276
H -2.736096 -0.387002 1.218095
H -3.291437 1.256731 0.810987
H -3.911011 0.477628 -1.518030
H -3.279264 -1.137935 -1.145854
H -1.542326 1.991906 -3.104082
H -4.445112 -2.581482 0.608656
H -6.122610 1.200929 -0.702787
H -6.642630 -3.204270 1.634383
H -8.322926 0.584213 0.324288
H -8.591904 -1.621819 1.499262


