%chk=000023681.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023681

0 1
 I   0.6165000      -5.380000      0.8679000    
 I    5.381900       2.885600       1.102200    
 I   -6.112500       1.932700      0.6808000    
 O  -1.0900000E-02  -1.230700      0.2169000    
 O    1.833400      0.8390000     -3.4000002E-02
 O   -2.310900      0.3158000     -0.3210000    
 O   0.3695000      -3.000400      -1.205800    
 O    3.827600       1.241200      -1.112200    
 O   -3.050700       2.460400      7.2099999E-02
 C  -6.3699998E-02 -0.3441000     -0.9032000    
 C    1.350900      0.1470000      -1.181000    
 C  -0.9994000      0.8119000     -0.5687000    
 C   0.2152000      -2.549600     -7.9899997E-02
 C    3.106100       1.345500     -0.1308000    
 C   -3.258700       1.258200     -6.0000001E-03
 C   0.2403000      -3.325000       1.216500    
 C    3.440500       2.041300       1.168100    
 C   -4.575000      0.5511000      0.2181000    
 H  -0.4683000     -0.8624000      -1.781600    
 H    1.353500      0.8208000      -2.045600    
 H    2.014100     -0.7017000      -1.383700    
 H   -1.030500       1.524400      -1.401400    
 H  -0.6594000       1.328000      0.3371000    
 H  -0.7278000      -3.200800       1.712400    
 H    1.024700      -2.906200       1.855300    
 H    3.378600       1.308000       1.978600    
 H    2.698200       2.827200       1.340600    
 H   -4.450000     -0.1591000       1.041700    
 H   -4.831400       0.000000     -0.6924000    


%chk=000023681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023681

0 1
I 1.713002 -3.745079 2.013822
I 3.346335 4.027381 0.678478
I -5.517273 2.461025 -0.633193
O -0.244517 -1.210997 0.198353
O 1.949730 0.784324 -0.106993
O -2.295657 0.754014 -0.604780
O 0.003276 -2.984553 -1.305736
O 4.035188 0.684869 -1.147463
O -2.642694 1.326567 1.643667
C -0.097625 -0.237339 -0.926739
C 1.378979 0.003568 -1.234705
C -0.840487 1.021108 -0.487104
C -0.152480 -2.565124 -0.137069
C 3.314915 1.068454 -0.200679
C -3.084229 0.961180 0.534643
C -0.280329 -3.418292 1.102806
C 3.769755 1.874404 0.992634
C -4.532286 0.666211 0.215325
H -0.565372 -0.679629 -1.826586
H 1.493890 0.584988 -2.168554
H 1.928442 -0.946270 -1.347449
H -0.617482 1.859127 -1.169465
H -0.590674 1.299607 0.549324
H -0.646190 -4.421003 0.848614
H -0.878273 -2.929649 1.882881
H 4.858351 1.807754 1.110387
H 3.225444 1.603478 1.906879
H -5.090885 0.439435 1.131883
H -4.639052 -0.111459 -0.552180


