%chk=000049637.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049637

0 1
 O  -0.5577000      -1.564700      7.8599997E-02
 O    1.104600      -1.716400      -1.518600    
 N   -5.702700      0.6825000     -8.8399999E-02
 C   -3.432500      -1.143500      0.2385000    
 C   -4.751200      -1.326800      0.9973000    
 C   -3.685400     -0.3698000      -1.059800    
 C   -5.469300      9.7000003E-03   1.196400    
 C   -4.438200      0.9351000     -0.7922000    
 C   -2.770900      -2.489300     -4.4799998E-02
 C   -1.436700      -2.325400     -0.7562000    
 C    1.487700     -0.5356000      0.5400000    
 C   -6.434600       1.932700      0.1141000    
 C    2.979900     -0.7804000      0.3992000    
 C    1.393400      0.9571000      0.2774000    
 C    3.650700      0.4271000      9.8700002E-02
 C    2.676000       1.494400      2.3600001E-02
 C   0.6852000      -1.336700     -0.4336000    
 C    3.671500      -1.972100      0.5423000    
 C   0.2642000       1.759300      0.2806000    
 C    5.025400      0.4463000     -6.9600001E-02
 C    2.834500       2.845200     -0.2388000    
 C    5.057100      -1.952000      0.3726000    
 C   0.4247000       3.120400      1.5799999E-02
 C    5.727200     -0.7548000      6.8899997E-02
 C    1.697000       3.657800     -0.2422000    
 H   -2.766900     -0.5428000      0.8733000    
 H   -4.559800      -1.784800       1.975100    
 H   -5.408500      -2.013800      0.4478000    
 H   -4.259400     -0.9867000      -1.763600    
 H   -2.743500     -0.1074000      -1.552400    
 H   -6.428100     -0.1892000       1.690500    
 H   -4.881400      0.6465000       1.870700    
 H   -3.799000       1.617700     -0.2162000    
 H   -4.640800       1.416100      -1.757000    
 H   -3.429700      -3.122800     -0.6506000    
 H   -2.605900      -3.007400      0.9084000    
 H  -0.9979000      -3.319300     -0.9072000    
 H   -1.539900      -1.853700      -1.738200    
 H    1.198200     -0.7595000       1.573600    
 H   -6.653100       2.410800     -0.8472000    
 H   -5.876600       2.643700      0.7342000    
 H   -7.400400       1.739800      0.5944000    
 H    3.157700      -2.897100      0.7795000    
 H  -0.7196000       1.349900      0.4822000    
 H    5.557400       1.363000     -0.3016000    
 H    3.810400       3.275600     -0.4369000    
 H    5.626000      -2.872100      0.4774000    
 H  -0.4437000       3.773800      9.8999999E-03
 H    6.806600     -0.7640000     -5.8200002E-02
 H    1.796900       4.720900     -0.4453000    


%chk=000049637-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049637

0 1
O -0.524545 -1.808213 0.165648
O 1.130582 -2.181946 -1.434092
N -5.549484 0.927834 -0.141721
C -3.434190 -1.106662 0.224079
C -4.792449 -1.172211 0.963510
C -3.618701 -0.329092 -1.101695
C -5.393553 0.233141 1.158131
C -4.256574 1.052549 -0.852231
C -2.851396 -2.527613 0.023671
C -1.492410 -2.583987 -0.675105
C 1.590524 -0.769311 0.572357
C -6.239358 2.223820 -0.003100
C 3.099723 -0.842782 0.360244
C 1.292914 0.724780 0.354851
C 3.623844 0.457992 0.100960
C 2.508463 1.424278 0.092075
C 0.765000 -1.661623 -0.360344
C 3.944964 -1.962411 0.408597
C 0.062944 1.400288 0.400321
C 5.008974 0.642846 -0.101039
C 2.490918 2.820340 -0.120166
C 5.335213 -1.777133 0.203815
C 0.048376 2.801549 0.183114
C 5.860919 -0.484763 -0.046000
C 1.252585 3.503196 -0.073162
H -2.726524 -0.536077 0.862639
H -4.668529 -1.658989 1.951336
H -5.503299 -1.784777 0.373662
H -4.275376 -0.909018 -1.780739
H -2.648991 -0.179141 -1.614008
H -6.389698 0.158054 1.633907
H -4.735975 0.820883 1.855610
H -3.532108 1.687667 -0.269135
H -4.435903 1.566192 -1.815544
H -3.558337 -3.131151 -0.583381
H -2.768438 -3.028986 1.008269
H -1.115721 -3.619147 -0.763973
H -1.507501 -2.137295 -1.684765
H 1.317367 -1.051565 1.608553
H -6.398626 2.670976 -1.000919
H -5.673019 2.963298 0.620176
H -7.228841 2.071950 0.464768
H 3.542549 -2.965375 0.587811
H -0.865852 0.855026 0.597899
H 5.421936 1.638057 -0.300379
H 3.417524 3.370067 -0.319645
H 6.009784 -2.639921 0.234091
H -0.902007 3.346466 0.213784
H 6.938462 -0.360915 -0.202296
H 1.222740 4.586154 -0.238039


