%chk=000044382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044382

0 1
 O    4.622900     -0.9866000      0.2480000    
 C  -0.1630000     -4.8999999E-02  5.4299999E-02
 C    1.192400      0.3852000      8.1400000E-02
 C   -1.229600      0.8864000     -1.7500000E-02
 C  -0.4354000      -1.433400      0.1001000    
 C    2.247800     -0.5564000      0.1531000    
 C    1.497900       1.762600      3.7000000E-02
 C   -2.587200      0.4121000     -4.3000001E-02
 C   -2.831600     -0.9829000      4.0000002E-03
 C   -1.759800      -1.878800      7.4299999E-02
 C  -0.8755000       2.254300     -5.9799999E-02
 C   0.6206000      -2.352100      0.1711000    
 C   0.4538000       2.684100     -3.3399999E-02
 C    1.945200      -1.920200      0.1972000    
 C    3.577400     -0.1105000      0.1789000    
 C    2.836500       2.182000      6.4199999E-02
 C   -3.725800       1.254900     -0.1132000    
 C    3.868800       1.250500      0.1347000    
 C   -4.146700      -1.479700     -1.9200001E-02
 C   -5.028000      0.7485000     -0.1354000    
 C   -5.238500     -0.6203000     -8.8399999E-02
 C    5.157800      -1.450500     -0.9882000    
 H   -1.960800      -2.950200      0.1100000    
 H   -1.634400       3.030600     -0.1152000    
 H   0.4223000      -3.421700      0.2084000    
 H   0.6573000       3.752500     -6.8999998E-02
 H    2.725600      -2.675000      0.2591000    
 H    3.086500       3.240400      3.0800000E-02
 H   -3.623400       2.336400     -0.1524000    
 H    4.899600       1.594100      0.1559000    
 H   -4.333500      -2.551600      1.7000001E-02
 H   -5.873100       1.428500     -0.1896000    
 H   -6.247800      -1.020000     -0.1055000    
 H    5.622600     -0.6237000      -1.534800    
 H    4.382700      -1.915900      -1.605100    
 H    5.925100      -2.198500     -0.7701000    


%chk=000044382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044382

0 1
O 4.457767 -1.385589 -0.288114
C -0.271919 -0.152258 -0.079444
C 1.114452 0.236764 -0.166352
C -1.308251 0.842250 -0.060940
C -0.611129 -1.565385 -0.010596
C 2.147746 -0.766341 -0.184771
C 1.465017 1.634473 -0.235215
C -2.699782 0.428420 0.027342
C -3.012545 -0.987554 0.095000
C -1.959546 -1.949116 0.074169
C -0.921133 2.231568 -0.131378
C 0.458211 -2.543949 -0.029983
C 0.409086 2.612064 -0.214843
C 1.782776 -2.165229 -0.113253
C 3.510415 -0.350470 -0.273746
C 2.836481 1.998892 -0.321776
C -3.791499 1.357342 0.051547
C 3.849877 1.025376 -0.341632
C -4.384563 -1.404601 0.183471
C -5.117906 0.924344 0.137982
C -5.420585 -0.471905 0.205047
C 5.872900 -1.021874 -0.382837
H -2.214114 -3.015046 0.126896
H -1.690748 3.008151 -0.119087
H 0.188424 -3.605186 0.024745
H 0.676105 3.674229 -0.267646
H 2.584254 -2.908271 -0.126739
H 3.104208 3.060489 -0.374314
H -3.593829 2.432169 0.001671
H 4.895164 1.339881 -0.410036
H -4.602432 -2.478113 0.234617
H -5.931967 1.657400 0.154699
H -6.463121 -0.801342 0.273172
H 6.189321 -0.406480 0.481475
H 6.086701 -0.480132 -1.324537
H 6.414866 -1.978870 -0.374895


