%chk=000065597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065597

0 1
 O    1.232800      -1.767400      0.7106000    
 O    5.740200      -1.487400     -0.5624000    
 N    1.234500       1.220500      0.5693000    
 N    4.543200      0.4932000     -0.3212000    
 N    3.491800      -1.652600      7.3799998E-02
 N    3.035200       2.409800      9.8000001E-03
 N   -2.401600      0.4714000      0.1984000    
 N   -6.880400      0.7758000      6.5399997E-02
 C    2.230600      0.3172000      0.3328000    
 C  -0.1263000      0.9450000      0.9635000    
 C    3.320700       1.070900     -7.1999999E-03
 C   -1.045400      0.7728000     -0.2424000    
 C    2.221900      -1.108100      0.4028000    
 C    1.767400       2.466600      0.3620000    
 C    4.676700     -0.9176000     -0.2926000    
 C   -3.284900      0.2646000     -0.9407000    
 C    5.676000       1.338400     -0.6777000    
 C    3.609100      -3.106600      0.1103000    
 C   -4.695100     -3.9000001E-02 -0.5092000    
 C   -5.094200      -1.343900     -0.2955000    
 C   -5.601300      0.9796000     -0.3219000    
 C   -6.402500      -1.593800      0.1035000    
 C   -7.248600     -0.5092000      0.2686000    
 H  -0.1300000      6.3199997E-02   1.612100    
 H  -0.4622000       1.787500       1.581600    
 H   -1.039100       1.692700     -0.8403000    
 H  -0.6646000     -3.4699999E-02 -0.8805000    
 H    1.187800       3.372100      0.4803000    
 H   -2.388600     -0.3680000      0.7779000    
 H   -2.919100     -0.5584000      -1.569000    
 H   -3.296400       1.156600      -1.580900    
 H    6.566600      0.7444000     -0.8980000    
 H    5.896800       2.008600      0.1588000    
 H    5.416200       1.926500      -1.563200    
 H    2.677200      -3.600800      0.3938000    
 H    4.392800      -3.375500      0.8259000    
 H    3.916700      -3.456800     -0.8802000    
 H   -4.406500      -2.173300     -0.4315000    
 H   -5.333800       2.020000     -0.4757000    
 H   -6.748800      -2.605600      0.2805000    
 H   -8.278600     -0.6505000      0.5789000    


%chk=000065597-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065597

0 1
O 1.220122 -1.691126 0.805461
O 5.786748 -1.491178 -0.362573
N 1.236904 1.413871 0.453386
N 4.606456 0.536861 -0.305125
N 3.515407 -1.558228 0.215829
N 3.141903 2.529864 -0.157509
N -2.335898 0.256765 0.064668
N -6.478992 0.475004 1.107492
C 2.243557 0.446591 0.293015
C -0.174252 1.153182 0.801365
C 3.393551 1.166662 -0.073929
C -0.979318 0.602380 -0.397983
C 2.223416 -0.982281 0.471510
C 1.824758 2.634618 0.167276
C 4.706040 -0.867585 -0.164639
C -3.314838 -0.017987 -1.011421
C 5.796379 1.321432 -0.690285
C 3.657128 -3.026228 0.356784
C -4.715642 -0.231736 -0.454851
C -5.570269 -1.237841 -0.966321
C -5.222524 0.592058 0.585245
C -6.875063 -1.375182 -0.441074
C -7.286280 -0.499380 0.589046
H -0.193339 0.415222 1.621833
H -0.628619 2.092127 1.159725
H -1.063248 1.383412 -1.178157
H -0.425616 -0.258915 -0.837335
H 1.275812 3.572412 0.210847
H -2.315784 -0.507663 0.754667
H -3.036935 -0.894405 -1.647175
H -3.317187 0.863409 -1.685453
H 6.631846 0.617997 -0.816711
H 6.032434 2.058729 0.094989
H 5.604269 1.860354 -1.632958
H 2.676405 -3.422837 0.656737
H 4.419313 -3.260573 1.117513
H 3.978245 -3.468482 -0.600379
H -5.219192 -1.905736 -1.762348
H -4.583921 1.367866 1.020717
H -7.557800 -2.144555 -0.815492
H -8.289780 -0.570701 1.024115


