%chk=000005866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005866

0 1
 O    2.888800      0.1371000       1.994900    
 O  -0.4689000      -2.340500      -1.289300    
 O   -5.003900     -0.6085000       2.635200    
 O    5.272500      0.5461000     -0.1722000    
 O    5.710300      -2.080900      0.5405000    
 C  -0.5351000       1.142900     -0.5399000    
 C   0.8048000       1.190700      0.2130000    
 C    1.787900      7.4199997E-02 -0.2199000    
 C   -1.219400     -0.2347000     -0.2751000    
 C   -2.625700     -0.3483000     -0.9636000    
 C   -3.514900      0.8682000     -0.5226000    
 C    3.026000      0.4809000      0.6195000    
 C   -1.442100       2.309300     -0.1283000    
 C    1.643400       2.462700      0.1149000    
 C    1.138500      -1.272900      0.1149000    
 C   -2.823000       2.218800     -0.7689000    
 C  -0.2148000      -1.369600     -0.5799000    
 C    3.064100       2.020900      0.5165000    
 C   -3.377700      -1.659600     -0.5837000    
 C   -3.977000      0.7730000      0.9472000    
 C    2.128800      0.1075000      -1.736500    
 C   -2.495200     -0.3390000      -2.509400    
 C   -3.806300      -1.736500      0.8765000    
 C   -4.678400     -0.5461000       1.250500    
 C    4.323800     -0.1424000      0.2009000    
 C    4.393200      -1.653500      0.2645000    
 H  -0.3346000       1.252800      -1.610900    
 H   0.5700000       1.056900       1.281800    
 H   -1.377300     -0.3144000      0.8093000    
 H   -4.428800      0.8612000      -1.134500    
 H  -0.9843000       3.260600     -0.4248000    
 H   -1.538900       2.344000      0.9632000    
 H    1.271200       3.248100      0.7810000    
 H    1.642300       2.866900     -0.9037000    
 H   0.9678000      -1.399000       1.189700    
 H    1.751800      -2.113200     -0.2231000    
 H   -3.450100       3.035200     -0.3898000    
 H   -2.729000       2.393000      -1.847300    
 H    3.760700       2.391300     -0.2437000    
 H    3.342500       2.488400       1.468200    
 H   -2.785500      -2.547000     -0.8239000    
 H   -4.283200      -1.740700      -1.201900    
 H   -3.137100      0.9007000       1.640100    
 H   -4.662200       1.599500       1.176800    
 H    2.817000     -0.6992000      -2.007200    
 H    1.245000     -2.4800001E-02  -2.367700    
 H    2.600300       1.047500      -2.040000    
 H   -1.987100      -1.233200      -2.881900    
 H   -3.484600     -0.3192000      -2.981900    
 H   -1.946000      0.5273000      -2.885900    
 H   -4.364800      -2.664500       1.050900    
 H   -2.932900      -1.797100       1.536600    
 H   -5.622400     -0.5934000      0.6953000    
 H    3.616900      0.5496000       2.490400    
 H    4.071100      -2.086800     -0.6847000    
 H    3.763000      -2.034700       1.070600    
 H   -4.173900     -0.5716000       3.140500    
 H    6.264400      -1.829300     -0.2180000    


%chk=000005866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005866

0 1
O 2.682166 -0.031158 1.958909
O -0.528223 -2.294616 -1.506673
O -5.094053 -0.696361 2.699443
O 5.092961 0.185057 -0.726624
O 5.856565 -2.209791 0.195430
C -0.540878 1.189650 -0.603564
C 0.810513 1.204943 0.138177
C 1.778478 0.064520 -0.315531
C -1.239282 -0.207443 -0.368124
C -2.667538 -0.306148 -1.013894
C -3.544731 0.892988 -0.487961
C 3.032986 0.417996 0.589186
C -1.456673 2.343443 -0.125498
C 1.689483 2.478457 0.086770
C 1.110007 -1.302031 -0.019882
C -2.870185 2.264467 -0.743145
C -0.261680 -1.353809 -0.710612
C 3.115387 1.974406 0.492367
C -3.392508 -1.640706 -0.635915
C -3.958241 0.744441 1.005044
C 2.155817 0.142152 -1.817133
C -2.587457 -0.250758 -2.566272
C -3.780400 -1.772905 0.855103
C -4.667424 -0.592951 1.287575
C 4.321998 -0.287725 0.158173
C 4.675280 -1.631750 0.796483
H -0.365937 1.322728 -1.690532
H 0.593974 1.004013 1.209910
H -1.354342 -0.274534 0.738511
H -4.485636 0.862377 -1.080356
H -0.988596 3.311934 -0.388543
H -1.522343 2.318247 0.981993
H 1.318761 3.262755 0.768567
H 1.703168 2.909915 -0.931355
H 0.984590 -1.408721 1.074755
H 1.702626 -2.154098 -0.397787
H -3.505613 3.071452 -0.327420
H -2.801234 2.449369 -1.832756
H 3.877458 2.250909 -0.255855
H 3.445598 2.400158 1.459781
H -2.775972 -2.497720 -0.953846
H -4.325351 -1.683839 -1.236941
H -3.073521 0.819058 1.671659
H -4.631609 1.578303 1.282016
H 2.840308 -0.678868 -2.093909
H 1.258002 0.036017 -2.450313
H 2.655104 1.088773 -2.082961
H -2.083898 -1.150808 -2.955813
H -3.608015 -0.212875 -2.993031
H -2.042894 0.634412 -2.939675
H -4.319978 -2.723581 1.023145
H -2.873917 -1.803228 1.497878
H -5.625535 -0.630583 0.736446
H 3.185015 0.518053 2.612109
H 3.812182 -2.320964 0.694636
H 4.831906 -1.486522 1.884536
H -4.280937 -0.720686 3.266987
H 6.185272 -1.561113 -0.490463


