%chk=000052892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052892

0 1
 O    4.455800      -2.817400     -2.3399999E-02
 N    2.932000     -0.2252000     -0.3693000    
 N    2.633200       1.811200      0.6161000    
 C    3.922300       1.855900     -0.1513000    
 C    4.019900      0.5276000     -0.9445000    
 C    2.182700      0.5952000      0.4308000    
 C   0.9013000      0.1483000       1.063700    
 C    2.597900      -1.541500     -0.8461000    
 C  -0.2877000      0.4325000      0.1513000    
 C    5.064400       1.991300      0.8587000    
 C    3.882100       3.066000      -1.083200    
 C   -1.624200      4.2599998E-02  0.7900000    
 C    3.059700      -2.591000      0.1618000    
 C   -2.793000      0.3115000     -0.1613000    
 C   -4.124500     -0.1082000      0.4648000    
 C   -5.339700      0.2210000     -0.4076000    
 C    2.322100      -3.908200     -3.7999999E-02
 C   -6.707500     -9.8200001E-02  0.2038000    
 C   -7.882200      0.3087000     -0.6858000    
 C   -9.214400     -2.2200000E-02 -3.0500000E-02
 H    4.981100      2.2100000E-02 -0.8054000    
 H    3.852100      0.6785000      -2.016800    
 H   0.7796000      0.6889000       2.010200    
 H   0.9498000     -0.9167000       1.308200    
 H    3.074800      -1.718700      -1.818400    
 H    1.518500      -1.614100      -1.011300    
 H  -0.3056000       1.500800     -0.1008000    
 H  -0.1678000     -0.1006000     -0.7989000    
 H    4.953200       2.900900       1.459700    
 H    5.080600       1.144000       1.553800    
 H    6.035300       2.034200      0.3537000    
 H    3.771100       3.997200     -0.5161000    
 H    4.798500       3.137000      -1.678600    
 H    3.032100       3.005200      -1.772400    
 H   -1.604200      -1.021300       1.055600    
 H   -1.765500      0.6069000       1.719700    
 H    2.913200      -2.247900       1.192000    
 H   -2.823500       1.379300     -0.4095000    
 H   -2.643800     -0.2351000      -1.100100    
 H   -4.241100      0.3944000       1.433000    
 H   -4.110300      -1.185900      0.6680000    
 H   -5.311900       1.290600     -0.6524000    
 H   -5.244700     -0.3154000      -1.360200    
 H    1.244700      -3.787400      0.1105000    
 H    2.686800      -4.663100      0.6669000    
 H    2.497300      -4.306500      -1.043500    
 H   -6.761400      -1.174000      0.4115000    
 H   -6.792300      0.4145000       1.170000    
 H   -7.837900       1.384600     -0.8906000    
 H   -7.814100     -0.2089000      -1.649500    
 H    4.735500      -3.479000      0.6322000    
 H   -9.301900      -1.096600      0.1597000    
 H   -10.04150      0.2759000     -0.6825000    
 H   -9.325200      0.5061000      0.9219000    


%chk=000052892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052892

0 1
O 4.562723 -2.630761 -0.082344
N 2.832792 -0.199880 -0.504342
N 2.833502 1.725683 0.776633
C 4.076296 1.799362 -0.093659
C 4.145298 0.411978 -0.842903
C 2.212207 0.599452 0.474179
C 0.877457 0.220033 1.074166
C 2.511710 -1.590819 -0.812176
C -0.320048 0.514190 0.129370
C 5.308974 2.034927 0.803041
C 3.889808 2.969457 -1.088981
C -1.674752 0.121159 0.758218
C 3.102328 -2.640183 0.161561
C -2.886440 0.455931 -0.140302
C -4.237015 0.022025 0.472800
C -5.455591 0.382587 -0.406438
C 2.513312 -4.042693 -0.073797
C -6.802143 -0.078760 0.195263
C -8.023464 0.293777 -0.676001
C -9.362782 -0.181664 -0.072471
H 4.971701 -0.226003 -0.479437
H 4.250099 0.534043 -1.938384
H 0.762088 0.810828 1.999176
H 0.864024 -0.850526 1.362549
H 2.887151 -1.829895 -1.825766
H 1.413056 -1.716992 -0.831626
H -0.316274 1.594583 -0.113593
H -0.188570 -0.022578 -0.832544
H 5.190268 2.975631 1.369348
H 5.423561 1.210973 1.529784
H 6.232696 2.100701 0.196862
H 3.713508 3.909656 -0.537593
H 4.786935 3.092314 -1.725624
H 3.016765 2.786861 -1.741724
H -1.675055 -0.966765 0.983188
H -1.788545 0.639220 1.733324
H 2.898465 -2.313877 1.205302
H -2.905228 1.548223 -0.336061
H -2.758718 -0.033904 -1.128643
H -4.354413 0.493484 1.471157
H -4.223681 -1.074486 0.647889
H -5.481277 1.481355 -0.563425
H -5.329477 -0.071226 -1.412048
H 1.422652 -4.052862 0.109819
H 2.972024 -4.786595 0.604864
H 2.697708 -4.369210 -1.113391
H -6.780821 -1.179244 0.342156
H -6.925397 0.366000 1.205228
H -8.048795 1.393943 -0.815334
H -7.895901 -0.143960 -1.687339
H 4.999198 -3.276836 0.528971
H -9.374623 -1.281619 0.047967
H -10.219398 0.097340 -0.713459
H -9.528200 0.265419 0.926188


