%chk=000040350.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040350

0 1
 O   -2.531200      0.5522000       1.268400    
 O   -2.630000      0.7804000      -1.129400    
 N    1.428600       1.284200     -5.7700001E-02
 N    4.759100     -0.3542000     -0.3962000    
 C   -2.363300       1.438000      0.1340000    
 C  -0.9192000       1.937900      0.1222000    
 C   -3.338000       2.605200      0.2854000    
 C   5.8800001E-02  0.7850000     -6.8700001E-02
 C    2.379800      0.1951000     -0.2288000    
 C   -2.891800     -0.6079000      0.6528000    
 C   -2.948200     -0.4776000     -0.7160000    
 C    3.805400      0.7389000     -0.2426000    
 C   -4.776100       2.125300      0.2989000    
 C    4.951900      -1.051600      0.8762000    
 C    6.038900      0.1462000     -0.9004000    
 C   -3.178000      -1.802200       1.280900    
 C   -3.294100      -1.534400      -1.532400    
 C   -3.530800      -2.888800      0.4771000    
 C   -3.588500      -2.755600     -0.9215000    
 C    5.893100      -2.233600      0.7172000    
 C    6.673500       1.117300      8.0700003E-02
 H  -0.6948000       2.449300       1.067200    
 H  -0.7839000       2.660500     -0.6931000    
 H   -3.142900       3.143300       1.220600    
 H   -3.216200       3.311400     -0.5445000    
 H  -0.1321000      0.2773000      -1.021000    
 H  -5.9799999E-02  5.4800000E-02  0.7396000    
 H    1.550800       1.971000     -0.8015000    
 H    2.183600     -0.3354000      -1.169600    
 H    2.240700     -0.5174000      0.5904000    
 H    3.883300       1.433500      -1.090500    
 H    3.985600       1.324400      0.6687000    
 H   -5.050600       1.620500     -0.6323000    
 H   -5.447700       2.983900      0.4084000    
 H   -4.977600       1.451800       1.137400    
 H    3.998200      -1.478300       1.205800    
 H    5.281500     -0.4042000       1.696600    
 H    5.876000      0.6585000      -1.857700    
 H    6.731700     -0.6660000      -1.144000    
 H   -3.132200      -1.900500       2.359500    
 H   -3.337300      -1.427300      -2.610300    
 H   -3.763200      -3.846400      0.9350000    
 H   -3.864900      -3.611600      -1.531100    
 H    5.836700      -2.869200       1.608200    
 H    6.939000      -1.928500      0.6166000    
 H    5.621000      -2.855700     -0.1425000    
 H    7.583900       1.525400     -0.3754000    
 H    6.994600      0.6451000       1.013200    
 H    6.043400       1.979700      0.3150000    


%chk=000040350-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040350

0 1
O -2.582761 0.410626 1.215831
O -2.809208 0.773608 -1.153498
N 1.441064 1.148912 -0.226620
N 4.974314 -0.271064 -0.234731
C -2.394052 1.453286 0.135665
C -0.913196 1.835476 0.047361
C -3.333179 2.635800 0.410521
C 0.050979 0.647893 -0.134197
C 2.482621 0.097530 -0.261100
C -3.081797 -0.746814 0.580606
C -3.216013 -0.533353 -0.809468
C 3.886732 0.737681 -0.180642
C -4.826254 2.260393 0.468599
C 5.176880 -0.964730 1.063440
C 6.217393 0.227069 -0.877456
C -3.417277 -1.965198 1.176958
C -3.692551 -1.528552 -1.666949
C -3.905075 -2.989901 0.316623
C -4.039754 -2.776318 -1.074707
C 6.062028 -2.220664 0.953401
C 6.991543 1.341209 -0.118155
H -0.631372 2.385138 0.964408
H -0.808175 2.539956 -0.802358
H -3.015304 3.090864 1.368163
H -3.158433 3.389741 -0.381269
H -0.258789 0.044396 -1.020419
H -0.014985 -0.012052 0.750319
H 1.546877 1.800139 -1.019153
H 2.441735 -0.551682 -1.167976
H 2.316587 -0.562437 0.612157
H 4.009567 1.417374 -1.048468
H 3.925916 1.377242 0.733688
H -5.162677 1.826214 -0.488414
H -5.437151 3.158025 0.670648
H -5.019608 1.528704 1.271768
H 4.180113 -1.272018 1.430012
H 5.597202 -0.279901 1.844097
H 5.940607 0.598956 -1.882938
H 6.889817 -0.634802 -1.042260
H -3.309112 -2.119187 2.253918
H -3.792253 -1.352514 -2.741344
H -4.179423 -3.959202 0.745732
H -4.417450 -3.581726 -1.713133
H 6.071024 -2.764343 1.916027
H 7.109599 -1.973893 0.702661
H 5.669621 -2.895519 0.172033
H 7.874028 1.659072 -0.704416
H 7.350791 0.990183 0.866463
H 6.355512 2.230081 0.047374


