%chk=000049614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049614

0 1
 O   -1.685200      5.1300000E-02   1.617700    
 N   -3.226100     -0.3826000     -0.3238000    
 C   0.1541000     -0.2803000     -4.9000001E-03
 C    1.348200      -1.183300     -0.3078000    
 C    2.046500     -0.7427000      -1.601400    
 C    2.333200      -1.192300      0.8691000    
 C  -0.8622000     -0.4234000      -1.206300    
 C  -0.5760000     -0.7983000       1.302200    
 C    3.276300      -1.597900      -1.897700    
 C    3.562600      -2.046700      0.5687000    
 C   0.5457000       1.197400      0.2184000    
 C    4.248800      -1.611400     -0.7224000    
 C   -2.223400      0.3111000      -1.126000    
 C   -1.079900      -2.254700       1.248600    
 C   0.5853000       2.079100     -0.8617000    
 C   0.8599000       1.649800       1.499800    
 C   -2.801100      0.4848000      -2.534000    
 C   -1.815300      -2.651700       2.524800    
 C   0.9390000       3.413300     -0.6604000    
 C    1.213600       2.984100       1.701100    
 C   -3.875200      -1.433500      -1.108700    
 C   -4.222100      0.5620000      0.1836000    
 C    1.253100       3.865800      0.6211000    
 H    1.012900      -2.215200     -0.4733000    
 H    2.388900      0.2948000      -1.542700    
 H    1.398000     -0.8314000      -2.476200    
 H    1.885700      -1.600500       1.778900    
 H    2.696400     -0.1861000       1.098700    
 H   -1.034900      -1.489200      -1.403400    
 H  -0.3982000     -8.0899999E-02  -2.135300    
 H   8.0100000E-02 -0.7545000       2.173900    
 H    3.784900      -1.217600      -2.791000    
 H    2.962000      -2.624600      -2.122700    
 H    3.264300      -3.099300      0.4863000    
 H    4.271600      -1.980900       1.402000    
 H    5.083700      -2.286200     -0.9422000    
 H    4.674300     -0.6090000     -0.5894000    
 H   -2.047900       1.314500     -0.7217000    
 H   -1.756000      -2.436400      0.4137000    
 H  -0.2347000      -2.940000       1.128800    
 H   0.3708000       1.780200      -1.880700    
 H   0.8808000       1.017000       2.377800    
 H   -2.808800     -0.4351000      -3.129500    
 H   -3.796100      0.9409000      -2.551500    
 H   -2.159700       1.181700      -3.090400    
 H   -1.890000     -5.9400000E-02   2.561300    
 H   -1.201000      -2.463900       3.411100    
 H   -2.053100      -3.720300       2.500600    
 H   -2.759800      -2.109200       2.631100    
 H   0.9747000       4.099300      -1.501700    
 H    1.465700       3.335700       2.697400    
 H   -3.162200      -2.109900      -1.591800    
 H   -4.598500      -1.074600      -1.850200    
 H   -4.447200      -2.069700     -0.4210000    
 H   -3.757800       1.362500      0.7704000    
 H   -4.910300      4.5000002E-02  0.8625000    
 H   -4.822700       1.027800     -0.6048000    
 H    1.531200       4.903900      0.7774000    


%chk=000049614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049614

0 1
O -1.799931 -0.274963 1.801428
N -3.319730 -0.030024 -0.329444
C 0.025913 -0.342176 0.051697
C 1.378044 -1.131952 -0.309877
C 2.171751 -0.598217 -1.539246
C 2.371562 -1.253340 0.882386
C -0.961476 -0.539144 -1.163633
C -0.591895 -0.971784 1.370769
C 3.354044 -1.528827 -1.902971
C 3.585945 -2.152738 0.543618
C 0.338577 1.163744 0.265710
C 4.335017 -1.670813 -0.718075
C -2.219795 0.370108 -1.285837
C -0.856739 -2.503293 1.323774
C 0.585096 2.019981 -0.845387
C 0.422395 1.749883 1.558046
C -2.693885 0.443043 -2.760595
C -1.264461 -3.035113 2.715126
C 0.919366 3.381973 -0.680189
C 0.761572 3.110868 1.731462
C -4.064290 -1.258917 -0.699961
C -4.243615 1.091110 -0.014782
C 1.016898 3.937795 0.614888
H 1.055454 -2.162245 -0.581758
H 2.570817 0.409378 -1.312694
H 1.518495 -0.494505 -2.426935
H 1.873309 -1.672541 1.774712
H 2.722779 -0.238428 1.159716
H -1.270097 -1.602487 -1.191460
H -0.394691 -0.387303 -2.099623
H 0.126926 -0.805394 2.194508
H 3.880357 -1.131893 -2.793301
H 2.965264 -2.531493 -2.179789
H 3.229911 -3.191504 0.377367
H 4.274817 -2.187621 1.410383
H 5.154165 -2.371434 -0.972665
H 4.803370 -0.685854 -0.513827
H -1.929869 1.388963 -0.969148
H -1.670982 -2.719105 0.603233
H 0.038266 -3.050580 0.970566
H 0.516021 1.624752 -1.864944
H 0.181489 1.155906 2.441886
H -2.852048 -0.563764 -3.189541
H -3.635607 1.013814 -2.860101
H -1.932090 0.952993 -3.377702
H -2.465650 -0.233601 0.994792
H -0.426826 -2.946169 3.433545
H -1.561091 -4.099554 2.671799
H -2.108201 -2.441846 3.107579
H 1.104068 4.005040 -1.563269
H 0.812313 3.527175 2.744416
H -3.361697 -2.080491 -0.918107
H -4.721866 -1.116407 -1.584700
H -4.692789 -1.568021 0.154043
H -3.660340 1.947485 0.363771
H -4.940279 0.773185 0.781085
H -4.843984 1.421855 -0.891139
H 1.276821 4.993788 0.750797


