%chk=000049994.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049994

0 1
 O    2.149200      -3.207200      0.3849000    
 O    5.156100      0.4739000      0.5349000    
 O  -0.1628000      -2.651100     -0.8079000    
 O    1.987000       3.021000      8.0700003E-02
 O    4.149800       2.817800     -0.5566000    
 C    1.359600      -1.001400     -0.1259000    
 C    1.581500      0.3546000     -0.2756000    
 C    2.862500      0.8600000     -5.3399999E-02
 C    2.370300      -1.870500      0.2379000    
 C    3.897400      1.9999999E-04  0.3147000    
 C    3.651200      -1.365200      0.4602000    
 C  -9.4999997E-03  -1.518000     -0.3656000    
 C   -3.611700     -0.2044000     -8.5800000E-02
 C   -1.152200     -0.6061000     -8.0700003E-02
 C   -2.421900      -1.010800     -0.3090000    
 C    3.098100       2.288500     -0.2092000    
 C   -3.508500       1.184600     -8.2999999E-03
 C   -4.856100     -0.8200000      5.0799999E-02
 C   -4.649400       1.957900      0.2061000    
 C   -5.996900     -4.6399999E-02  0.2651000    
 C   -5.893500       1.342500      0.3427000    
 H   0.7999000       1.023800     -0.6209000    
 H    4.463000      -2.029200      0.7471000    
 H  -0.9486000      0.3551000      0.3733000    
 H   -2.602800      -2.004700     -0.7126000    
 H   -2.565200       1.709000     -0.1301000    
 H   -4.956200      -1.901300     -5.2999998E-03
 H   -4.570300       3.039700      0.2617000    
 H   -6.965800     -0.5254000      0.3716000    
 H   -6.782000       1.944800      0.5083000    
 H    2.980900      -3.640700      0.6424000    
 H    5.179900       1.439300      0.4403000    
 H    2.146700       3.983200     -2.5100000E-02


%chk=000049994-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049994

0 1
O 2.084267 -3.129853 0.759204
O 5.334246 0.421883 0.430899
O -0.233541 -2.637337 -0.786067
O 2.271770 3.084752 -0.840582
O 4.508748 2.759582 -0.332925
C 1.344954 -0.964492 -0.020240
C 1.666643 0.379576 -0.281131
C 2.984056 0.890316 -0.149733
C 2.410440 -1.822767 0.428226
C 4.034548 0.003003 0.281812
C 3.727883 -1.342353 0.573333
C -0.043837 -1.480262 -0.294687
C -3.693937 -0.162183 -0.031273
C -1.177044 -0.562369 0.012779
C -2.464763 -0.919875 -0.291664
C 3.326558 2.277283 -0.436978
C -3.707472 1.109136 0.616614
C -4.938482 -0.721102 -0.445141
C -4.919148 1.790440 0.837409
C -6.152498 -0.038816 -0.224188
C -6.147689 1.221066 0.418192
H 0.890537 1.063567 -0.636920
H 4.538447 -1.992551 0.920830
H -0.949095 0.381386 0.521339
H -2.582355 -1.895916 -0.787111
H -2.767367 1.562825 0.949213
H -4.942469 -1.698397 -0.943083
H -4.913140 2.765663 1.336773
H -7.097995 -0.485674 -0.550010
H -7.088494 1.754814 0.592215
H 2.882690 -3.633235 1.061322
H 5.379724 1.413427 0.179528
H 2.613517 4.001964 -1.017255


