%chk=000049499.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049499

0 1
 O    3.462800       2.932100       1.086500    
 O  -0.4535000      0.6741000     -0.7840000    
 O    2.137200      -3.188500      0.2152000    
 O   -3.848200      -1.110600      0.5653000    
 N    2.138400      0.8342000     -0.3085000    
 C    2.046000     -0.5394000     -0.7988000    
 C    2.201700      0.8610000       1.159300    
 C    3.312200       1.512800     -0.8755000    
 C   0.8291000      -1.242400     -0.2869000    
 C    2.309600       2.303200       1.646400    
 C    3.394900       2.939400     -0.3400000    
 C  -0.4110000     -0.6022000     -0.2935000    
 C   -1.537200      -1.262600      0.1832000    
 C   0.9358000      -2.545300      0.1997000    
 C   -2.832000      0.8308000     -0.3672000    
 C   -2.829000     -0.5631000      0.1638000    
 C   -1.435600      -2.568100      0.6716000    
 C   -1.665900       1.349300     -0.8038000    
 C  -0.1951000      -3.207100      0.6784000    
 C   -4.158000       1.532700     -0.3365000    
 C   -1.520300       2.721700      -1.395900    
 C   -4.362200       2.285700      0.9632000    
 C    2.480300      -3.947800     -0.9420000    
 H    1.984200     -0.5388000      -1.895300    
 H    2.965800      -1.077300     -0.5395000    
 H    1.313400      0.4269000       1.628500    
 H    3.075700      0.2961000       1.510200    
 H    3.240000       1.547300      -1.968500    
 H    4.230400      0.9720000     -0.6116000    
 H    2.417600       2.321900       2.735600    
 H    1.414600       2.884100       1.391600    
 H    4.301200       3.426200     -0.7140000    
 H    2.537100       3.542300     -0.6623000    
 H   -2.304700      -3.099800       1.048600    
 H  -0.1174000      -4.222000       1.059400    
 H   -4.249500       2.227300      -1.179000    
 H   -4.978500      0.8194000     -0.4796000    
 H   -1.301000       2.645300      -2.465700    
 H  -0.6875000       3.246500     -0.9144000    
 H   -2.404300       3.351300      -1.273200    
 H   -4.338200       1.609800       1.824600    
 H   -3.591700       3.050200       1.109500    
 H   -5.335000       2.788000      0.9592000    
 H    3.489000      -4.346200     -0.8033000    
 H    2.472500      -3.320900      -1.839300    
 H    1.787300      -4.786000      -1.065600    


%chk=000049499-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049499

0 1
O 4.337726 2.463366 1.274093
O -0.788360 0.878570 -1.099276
O 2.241638 -2.709355 -0.212276
O -4.052186 -1.192342 0.458182
N 2.357749 0.940738 -0.209457
C 1.862533 -0.071812 -1.187860
C 3.104024 0.334697 0.922889
C 3.181209 1.984222 -0.871987
C 0.729177 -0.911977 -0.626117
C 3.513794 1.427209 1.922144
C 3.587506 3.054834 0.154188
C -0.593793 -0.409619 -0.575693
C -1.689623 -1.142300 -0.049611
C 0.926069 -2.230453 -0.135776
C -3.180860 0.806412 -0.585311
C -3.050056 -0.557666 -0.021695
C -1.438532 -2.447610 0.440290
C -2.072182 1.458270 -1.084424
C -0.151420 -2.997971 0.397286
C -4.560912 1.437303 -0.546515
C -2.000507 2.837642 -1.677499
C -4.815500 2.216312 0.771258
C 2.507815 -4.079723 0.237843
H 1.485846 0.488379 -2.062665
H 2.681540 -0.743643 -1.532368
H 2.455063 -0.401963 1.429825
H 4.017113 -0.204471 0.565431
H 2.583983 2.453901 -1.677180
H 4.106788 1.553580 -1.333578
H 4.142136 1.014130 2.728733
H 2.603414 1.893182 2.357429
H 4.264799 3.800848 -0.294158
H 2.675487 3.559536 0.540695
H -2.287969 -3.006369 0.846063
H 0.017175 -4.010473 0.773189
H -4.722842 2.099490 -1.416481
H -5.297090 0.616015 -0.611563
H -1.731250 2.787544 -2.749093
H -1.214766 3.425943 -1.170288
H -2.958532 3.367452 -1.579349
H -4.703207 1.544012 1.639446
H -4.104726 3.055284 0.890475
H -5.840946 2.628586 0.788588
H 3.582127 -4.232128 0.059307
H 1.923228 -4.814792 -0.347148
H 2.288322 -4.199288 1.315914


