%chk=000049051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049051

0 1
 O   -1.139700     -0.3056000     -4.2399999E-02
 O   -2.453400      -2.078200      0.5837000    
 N    2.513700     -0.9254000     -0.1685000    
 C    3.611300     -6.8999999E-03 -0.4657000    
 C    3.602200       1.155900      0.5329000    
 C    4.945700     -0.7595000     -0.4255000    
 C    4.782600       2.097700      0.3012000    
 C    6.124200      0.1848000     -0.6567000    
 C    6.112800       1.350300      0.3283000    
 C    1.232300     -0.2415000     -0.2508000    
 C   2.4599999E-02  -1.128900      0.1037000    
 C  -0.1153000      -2.312200     -0.8585000    
 C   7.0699997E-02  -1.618200       1.554000    
 C   -2.335900     -0.9090000      0.2318000    
 C   -3.444800      2.8200001E-02  4.6900000E-02
 C   -4.690700     -0.4488000     -0.3440000    
 C   -3.241700       1.386100      0.2646000    
 C   -5.747700      0.4441000     -0.5201000    
 C   -4.298900       2.279100      8.8699996E-02
 C   -5.551800       1.808000     -0.3036000    
 H    3.481900      0.3935000      -1.480700    
 H    3.635800      0.7787000       1.563400    
 H    2.710700       1.782700      0.4401000    
 H    4.960300      -1.547300      -1.188800    
 H    5.070400      -1.256000      0.5460000    
 H    4.785700       2.881300       1.067400    
 H    4.666100       2.598800     -0.6678000    
 H    6.085100      0.5728000      -1.682100    
 H    7.064600     -0.3694000     -0.5607000    
 H    6.929200       2.041700      9.1100000E-02
 H    6.297700      0.9728000       1.341500    
 H    2.540900      -1.701000     -0.8281000    
 H    1.086000      0.1754000      -1.256500    
 H    1.165100      0.6024000      0.4419000    
 H  -0.8771000      -3.046800     -0.5902000    
 H   0.8132000      -2.889100     -0.9218000    
 H  -0.3606000      -1.960200      -1.867600    
 H  -0.1591000     -0.8034000       2.250600    
 H  -0.6118000      -2.440900       1.781000    
 H    1.066100      -2.000400       1.807300    
 H   -4.857700      -1.508300     -0.5190000    
 H   -2.280600       1.780100      0.5836000    
 H   -6.723200      7.7600002E-02 -0.8260000    
 H   -4.147600       3.340800      0.2601000    
 H   -6.375000       2.503100     -0.4399000    


%chk=000049051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049051

0 1
O -1.223268 -0.388873 -0.137202
O -2.592856 -1.966580 0.932262
N 2.462388 -0.757630 -0.576664
C 3.580769 0.217056 -0.475513
C 3.742396 0.741885 0.973068
C 4.893013 -0.457462 -0.938217
C 4.931568 1.725908 1.085699
C 6.096270 0.509951 -0.834067
C 6.246996 1.071357 0.600560
C 1.096022 -0.199960 -0.575352
C 0.070113 -1.165101 0.084898
C -0.001672 -2.509204 -0.661607
C 0.339681 -1.327973 1.588756
C -2.442998 -0.877404 0.320465
C -3.565633 0.058889 -0.008779
C -4.873947 -0.300507 0.407354
C -3.358425 1.271626 -0.716123
C -5.965008 0.544953 0.119160
C -4.453171 2.114732 -1.003102
C -5.757012 1.754191 -0.586862
H 3.408200 1.103905 -1.140150
H 3.905272 -0.132680 1.634409
H 2.809386 1.232667 1.312323
H 4.783430 -0.815408 -1.983345
H 5.070464 -1.349727 -0.303560
H 5.037523 2.070537 2.132360
H 4.723619 2.627723 0.472482
H 5.950338 1.352149 -1.541756
H 7.024049 -0.009420 -1.142523
H 7.076850 1.803587 0.637274
H 6.516617 0.243874 1.288961
H 2.608258 -1.403903 -1.363089
H 0.720525 0.047924 -1.594926
H 1.094243 0.740705 0.003369
H -0.781024 -3.157210 -0.231850
H 0.972084 -3.022080 -0.564558
H -0.216959 -2.351994 -1.734549
H 0.200355 -0.364769 2.112611
H -0.328146 -2.078186 2.039291
H 1.391601 -1.640397 1.712434
H -5.008347 -1.241430 0.951200
H -2.345781 1.536699 -1.031810
H -6.973630 0.264980 0.442108
H -4.292570 3.050532 -1.549740
H -6.605284 2.410967 -0.810901


