%chk=000006682.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006682

0 1
 O    1.788200      -2.992900     -3.9999999E-04
 O  -0.3445000       2.635700     -1.0000000E-03
 O  -0.7783000      -2.689900      1.0000000E-03
 O    4.458700      0.9071000      6.9999998E-04
 N    2.251800       2.556600      1.5000000E-03
 C   0.8004000      0.5591000     -6.0000003E-04
 C   0.6830000     -0.8325000     -6.9999998E-04
 C   -1.736700      0.7730000     -5.0000002E-04
 C   -1.854000     -0.6185000     -3.0000001E-04
 C  -0.4052000       1.412600     -7.9999998E-04
 C  -0.6485000      -1.472100     -1.9999999E-04
 C    2.068300       1.152800       0.000000    
 C    1.833500      -1.630200     -5.0000002E-04
 C    3.212200      0.3540000      3.0000001E-04
 C    3.095000      -1.034500       0.000000    
 C   -2.887300       1.570700     -1.9999999E-04
 C   -3.121900      -1.212300      3.0000001E-04
 C   -4.148800      0.9750000      6.0000003E-04
 C   -4.265900     -0.4136000      7.9999998E-04
 H    3.994900      -1.645400      1.9999999E-04
 H   -2.825700       2.655700     -3.9999999E-04
 H   -3.241900      -2.292300      5.0000002E-04
 H   -5.041000       1.594400      1.0000000E-03
 H   -5.249200     -0.8749000      1.4000000E-03
 H    3.148500       2.967700      0.2162000    
 H    1.447700       3.168500     -1.5400000E-02
 H    2.692800      -3.349700     -3.0000001E-04
 H    4.409700       1.822500     -0.3159000    


%chk=000006682-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006682

0 1
O 1.801636 -3.039579 0.080502
O -0.330350 2.720385 -0.029419
O -0.827808 -2.787749 -0.043364
O 4.526587 0.946303 -0.084156
N 2.255800 2.580356 0.046846
C 0.792390 0.571847 -0.012506
C 0.675247 -0.873384 -0.005216
C -1.747423 0.786448 -0.005387
C -1.869044 -0.629199 -0.015865
C -0.411068 1.429346 -0.014982
C -0.664042 -1.524647 -0.024448
C 2.080032 1.202768 0.019462
C 1.870037 -1.647999 0.037143
C 3.248222 0.367706 -0.028076
C 3.145599 -1.018395 0.008966
C -2.911439 1.598394 0.002476
C -3.157383 -1.219381 -0.018623
C -4.186943 1.004148 0.003159
C -4.309874 -0.410215 -0.007831
H 4.068469 -1.609377 -0.022258
H -2.783280 2.684972 0.006297
H -3.219798 -2.311975 -0.028266
H -5.084729 1.631566 0.010750
H -5.303207 -0.872040 -0.008261
H 3.096518 2.971103 0.473455
H 1.372493 3.123290 0.028428
H 2.715384 -3.425400 0.114179
H 4.493773 1.797309 -0.595706


