%chk=000004871.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004871

0 1
 O   -3.913900     -0.7642000     -0.2723000    
 O   0.7045000      -2.023200      0.3488000    
 O  -0.5393000       2.385300      -1.193700    
 O    1.935300       1.664100     -0.8695000    
 O    6.560800      0.9718000       2.189800    
 O    8.062200      0.4051000     -7.9499997E-02
 C   -4.387700      -2.063700      0.1355000    
 C   -2.569700     -0.5172000     -0.2996000    
 C   -1.594900      -1.454600      5.8800001E-02
 C   -2.200300      0.7651000     -0.7169000    
 C  -0.2389000      -1.088000     -6.8999999E-03
 C   -3.323000      -3.058800      0.5231000    
 C   0.1234000      0.1955000     -0.4259000    
 C   -2.018300      -2.780800      0.4897000    
 C  -0.8559000       1.124100     -0.7818000    
 C   -5.321100      -1.829200       1.329000    
 C   -5.194500      -2.617900      -1.044600    
 C   -3.251800       1.761200      -1.099000    
 C    1.550400      0.5640000     -0.4942000    
 C    2.525800     -0.4774000     -7.6300003E-02
 C   -3.717200       2.592800      6.8000004E-02
 C    2.027600      -1.662000      0.3045000    
 C    3.958900     -0.2480000     -7.3500000E-02
 C   -4.956600       2.670600      0.5892000    
 C    4.585500      0.2576000       1.067400    
 C    4.715600     -0.5314000      -1.212500    
 C   -5.353600       3.524600       1.759800    
 C   -6.084900       1.871200     -6.6000000E-03
 C    5.962800      0.4788000       1.069300    
 C    6.092700     -0.3102000      -1.210600    
 C    6.716300      0.1947000     -6.9600001E-02
 H   -3.639100      -4.048800      0.8430000    
 H   -1.285600      -3.525500      0.7760000    
 H   -6.126600      -1.134500       1.065300    
 H   -5.775800      -2.760500       1.684500    
 H   -4.778900      -1.369500       2.164100    
 H   -5.982400      -1.916100      -1.342800    
 H   -4.554900      -2.753700      -1.925100    
 H   -5.661900      -3.580000     -0.8074000    
 H   -2.855000       2.454800      -1.852800    
 H   -4.057800       1.264500      -1.644500    
 H   -2.944300       3.205800      0.5311000    
 H    2.638200      -2.496500      0.6273000    
 H   0.4188000       2.527200      -1.171300    
 H    4.006400      0.4833000       1.960400    
 H    4.244700     -0.9244000      -2.110500    
 H   -6.133200       4.235100       1.467100    
 H   -5.734100       2.902100       2.575900    
 H   -4.504800       4.099000       2.145100    
 H   -6.790500       2.545000     -0.5048000    
 H   -5.798900       1.103700     -0.7238000    
 H   -6.627300       1.351800      0.7917000    
 H    6.667800     -0.5357000      -2.104600    
 H    7.513500       1.061600       2.013700    
 H    8.415800      0.1524000     -0.9496000    


%chk=000004871-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004871

0 1
O -3.943562 -1.024107 -0.557229
O 0.714400 -2.070692 0.297843
O -0.591589 2.287460 -1.460738
O 1.836327 1.735280 -1.011428
O 6.880525 -1.088288 2.118157
O 8.133379 0.540226 0.363703
C -4.416409 -2.169532 0.328758
C -2.602428 -0.651790 -0.520569
C -1.612623 -1.591273 -0.085479
C -2.288615 0.643410 -1.007001
C -0.275151 -1.157509 -0.120938
C -3.347723 -3.248076 0.412664
C 0.113846 0.131259 -0.570901
C -2.026631 -2.947583 0.267849
C -0.926395 1.027885 -1.018159
C -4.704974 -1.563640 1.722047
C -5.696587 -2.659998 -0.364656
C -3.366195 1.613679 -1.468585
C 1.510645 0.546889 -0.582654
C 2.505253 -0.427991 -0.090100
C -3.793970 2.558882 -0.352070
C 2.042192 -1.674612 0.287161
C 3.956897 -0.121157 0.007201
C -5.029465 2.673716 0.214167
C 4.743444 -0.728404 1.028043
C 4.590481 0.754171 -0.916502
C -5.287922 3.700349 1.307151
C -6.239710 1.840038 -0.172939
C 6.124046 -0.489358 1.105357
C 5.978711 1.000120 -0.836488
C 6.743358 0.377474 0.165800
H -3.684278 -4.266217 0.637379
H -1.253193 -3.712265 0.384144
H -5.449620 -0.752446 1.638143
H -5.098474 -2.342068 2.400886
H -3.781367 -1.154956 2.166849
H -6.418676 -1.831087 -0.461025
H -5.469129 -3.049186 -1.371102
H -6.164641 -3.465248 0.229650
H -2.945267 2.218530 -2.293780
H -4.225246 1.048315 -1.861851
H -2.991089 3.217600 0.010182
H 2.686170 -2.495493 0.607757
H 0.448535 2.362088 -1.384896
H 4.292637 -1.360331 1.799562
H 3.993454 1.251463 -1.681829
H -6.100749 4.395460 1.015152
H -5.614538 3.209646 2.246349
H -4.387786 4.299806 1.527783
H -6.999860 2.463797 -0.685245
H -5.981913 0.995732 -0.831916
H -6.730168 1.429050 0.732675
H 6.454261 1.678388 -1.555833
H 7.824490 -0.791553 2.030273
H 8.527193 1.175146 -0.280871


