%chk=000049999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049999

0 1
 O    1.975500     -0.7894000      0.1085000    
 O   -2.058400      -2.606300      0.8262000    
 O    3.724800     -0.9009000      -1.390700    
 O   -5.083900       2.340500      4.0600002E-02
 C    4.247800       1.379600      0.9292000    
 C    4.105700     -0.1499000      0.8923000    
 C   -1.210500     -0.2762000     -0.4041000    
 C  -0.2936000      -1.386600     -0.3167000    
 C   -2.557600     -0.3702000      0.1414000    
 C    4.891400       1.912900     -0.3533000    
 C    2.876800       2.028500       1.128100    
 C    1.085200      -1.280800     -0.8794000    
 C    3.283400     -0.6432000     -0.2792000    
 C   -3.235100      0.8767000     -8.9599997E-02
 C   -1.105200      0.9585000     -0.9262000    
 C   -2.362800       1.673500     -0.7303000    
 C  -0.7745000      -2.487600      0.2950000    
 C   -2.919300      -1.516500      0.7258000    
 C   -4.589600       1.237300      0.2824000    
 H    4.888100       1.643000       1.779700    
 H    3.666300     -0.5241000       1.825100    
 H    5.093400     -0.6218000      0.8194000    
 H    4.250500       1.770700      -1.229300    
 H    5.086000       2.987200     -0.2613000    
 H    5.849000       1.417000     -0.5433000    
 H    2.220900       1.887600      0.2629000    
 H    2.374100       1.621600       2.011800    
 H    2.987900       3.107900       1.279400    
 H    1.105100     -0.6353000      -1.765800    
 H    1.426600      -2.274900      -1.196900    
 H  -0.2471000       1.391100      -1.415900    
 H   -2.527600       2.686300      -1.062900    
 H  -0.2189000      -3.402900      0.4438000    
 H   -3.879000      -1.729800       1.171700    
 H   -5.169000      0.4593000      0.8050000    


%chk=000049999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049999

0 1
O 1.802676 -0.835097 0.268720
O -2.375278 -2.906566 0.159520
O 3.649999 -0.869897 -1.148695
O -5.043068 2.339935 0.643757
C 4.200952 1.642115 0.773727
C 3.832219 0.156638 1.105163
C -1.203447 -0.368522 -0.223758
C -0.414251 -1.556252 -0.389552
C -2.634743 -0.515281 0.142906
C 5.332311 1.744790 -0.275016
C 2.956740 2.456079 0.346814
C 1.028719 -1.514130 -0.816681
C 3.148201 -0.556672 -0.044240
C -3.203521 0.822284 0.236715
C -0.934398 1.010214 -0.337297
C -2.148571 1.723606 -0.060838
C -1.026996 -2.780277 -0.188174
C -3.162358 -1.774851 0.319035
C -4.579769 1.161148 0.571024
H 4.576553 2.066606 1.727673
H 3.169478 0.123426 1.986013
H 4.761898 -0.394920 1.340437
H 5.027968 1.290738 -1.234258
H 5.592111 2.803913 -0.457508
H 6.245403 1.223244 0.067314
H 2.581405 2.113748 -0.637148
H 2.135799 2.361906 1.081525
H 3.210479 3.527166 0.249325
H 1.162565 -0.939208 -1.751421
H 1.448753 -2.523526 -0.973555
H 0.030317 1.458528 -0.575010
H -2.271740 2.808587 -0.067605
H -0.555035 -3.758938 -0.274761
H -4.185211 -2.042024 0.586211
H -5.249760 0.284287 0.773038


