%chk=000054680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054680

0 1
 O   0.9949000       1.382800     -0.5960000    
 O   -1.937500       3.023900      0.7888000    
 O   -2.131100      0.2804000      0.2576000    
 O   -3.170400      -1.114100      -1.242600    
 N   -2.973600      -1.671200       1.000800    
 C   -1.135400       2.423700     -0.2308000    
 C   0.1953000       2.023200      0.3927000    
 C   -1.876800       1.213500     -0.7873000    
 C    1.891100      0.4473000     -0.1520000    
 C    2.247200     -0.6284000     -0.9592000    
 C    2.439400      0.5883000       1.119000    
 C    3.160800      -1.572700     -0.4908000    
 C    1.666100     -0.7897000      -2.325000    
 C    3.352900     -0.3560000       1.587400    
 C    3.713700      -1.436500      0.7824000    
 C   -2.795700     -0.8627000     -0.1020000    
 C   -3.640800      -2.951900      0.9571000    
 H  -0.9828000       3.151200      -1.035800    
 H  -2.9000000E-03   1.378400       1.260000    
 H   0.7142000       2.919400      0.7548000    
 H   -1.302500      0.7341000      -1.587900    
 H   -2.841400       1.543100      -1.192300    
 H    2.213300       1.429400       1.767100    
 H    3.452100      -2.420500      -1.105200    
 H   -1.462100       3.809200       1.109600    
 H    2.124400      -1.623000      -2.868400    
 H   0.5913000     -0.9868000      -2.257200    
 H    1.828500      0.1151000      -2.920200    
 H    3.789400     -0.2465000       2.575900    
 H    4.426200      -2.170800       1.146700    
 H   -2.614000      -1.349100       1.894000    
 H   -3.993400      -3.182900     -5.0799999E-02
 H   -4.486500      -2.919600       1.648200    
 H   -2.933200      -3.716200       1.287100    


%chk=000054680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054680

0 1
O 0.591125 1.036450 -0.497223
O -1.889170 3.557197 0.632479
O -2.577178 0.648012 0.247384
O -2.057806 -1.133071 -1.233431
N -2.750882 -1.486397 0.986073
C -1.196141 2.632968 -0.283689
C -0.024769 1.964431 0.454664
C -2.231380 1.631564 -0.799797
C 1.591291 0.164305 -0.019787
C 2.001229 -0.842081 -0.943297
C 2.166095 0.266385 1.268518
C 3.016902 -1.732277 -0.527490
C 1.341539 -0.941899 -2.303108
C 3.179060 -0.643285 1.652872
C 3.609322 -1.643448 0.756386
C -2.424564 -0.716285 -0.104363
C -2.691793 -2.949286 0.953256
H -0.806281 3.181369 -1.168884
H -0.409556 1.425170 1.340951
H 0.712736 2.729305 0.780470
H -1.836467 1.088607 -1.675132
H -3.157470 2.171476 -1.059822
H 1.842410 1.041573 1.969972
H 3.343872 -2.513454 -1.224329
H -1.281950 4.304432 0.867051
H 1.762302 -1.780781 -2.883601
H 0.250536 -1.090572 -2.199147
H 1.479965 -0.010780 -2.883833
H 3.626477 -0.563366 2.649987
H 4.394130 -2.349112 1.049139
H -3.038794 -0.995716 1.832926
H -2.368628 -3.251994 -0.055184
H -3.682433 -3.396242 1.157646
H -1.963029 -3.338798 1.688039


