%chk=000068761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068761

0 1
 I   0.7942000      -2.722000      0.3231000    
 I   -1.067800       3.047800     -0.3967000    
 I   -5.026600      -1.550800      -1.099100    
 O    5.612300       2.110600      0.4434000    
 O    3.477400      0.9155000      -1.122500    
 O    6.154100      -1.255000     -0.8903000    
 O    3.578500      0.8447000       2.520200    
 O    8.496200     -3.4000000E-03  -1.703200    
 O    1.209000     -0.2990000       2.345100    
 O   -4.052600       1.826700      -2.137400    
 O   -3.073100      -5.047300      0.7964000    
 O   -4.656600       4.494700       1.386000    
 N   0.8297000      0.5017000      0.1738000    
 N   -2.321400      -3.149300     -0.3858000    
 N   -4.599800       1.921900      0.1138000    
 C    5.391300      0.7058000      0.3348000    
 C    3.883100      0.4201000      0.1518000    
 C    6.269100      0.1649000     -0.8117000    
 C    2.946800      0.9582000       1.252300    
 C    7.747800      0.4928000     -0.5975000    
 C    1.566800      0.3004000       1.334700    
 C  -0.4785000      4.4300001E-02 -0.1100000    
 C   -2.044100      -1.774500     -0.3880000    
 C  -0.7545000      -1.323000     -0.1079000    
 C   -1.492000      0.9600000     -0.3926000    
 C   -2.781600      0.5085000     -0.6730000    
 C   -3.057700     -0.8588000     -0.6706000    
 C   -3.845200       1.469400     -0.9694000    
 C   -2.255800      -3.883700      -1.683400    
 C   -2.750000      -3.856800      0.7854000    
 C   -5.697800       2.852100     -1.9700000E-02
 C   -2.773300      -3.106600       2.097300    
 C   -5.228100       4.290300      0.1004000    
 H    5.721600      0.2474000       1.274400    
 H    3.759300     -0.6685000      0.1083000    
 H    5.951600      0.5781000      -1.776300    
 H    2.771000       2.028800       1.088200    
 H    8.128700      5.1000002E-03  0.3060000    
 H    7.917900       1.571100     -0.5284000    
 H    5.380100       2.517100     -0.4085000    
 H    3.505000       1.886500      -1.089000    
 H    1.100900       1.325800     -0.3599000    
 H    6.721800      -1.554700      -1.620800    
 H    3.766100     -9.7300000E-02   2.673900    
 H    9.429200      0.2137000      -1.535800    
 H   -1.506700      -4.675200      -1.587900    
 H   -1.988100      -3.209700      -2.501800    
 H   -3.226100      -4.351400      -1.873500    
 H   -4.371800       1.586900       1.045700    
 H   -6.404100       2.614000      0.7824000    
 H   -6.192500       2.693100     -0.9831000    
 H   -3.368400      -2.194600       2.014300    
 H   -1.758700      -2.860100       2.415000    
 H   -3.231100      -3.735300       2.867500    
 H   -6.073400       4.975500     -1.5799999E-02
 H   -4.473800       4.526200     -0.6569000    
 H   -4.373100       5.423900       1.427400    


%chk=000068761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068761

0 1
I 0.894724 -2.734019 -0.043004
I -0.919046 3.084980 -0.766546
I -5.062224 -1.492498 -0.914516
O 5.599563 2.241761 -0.221350
O 3.447368 0.944842 -1.349591
O 6.024261 -1.425180 -0.309604
O 3.559639 1.075348 2.375380
O 8.430112 -0.768009 -1.377890
O 0.993616 0.376041 2.148597
O -4.071721 1.873864 -2.393709
O -2.872760 -5.070588 0.833839
O -5.367553 3.514058 2.086117
N 0.978062 0.534772 -0.198454
N -2.320874 -3.172821 -0.395930
N -4.515859 2.096141 -0.110912
C 5.382224 0.825226 0.177970
C 3.890618 0.498785 -0.006896
C 6.265810 -0.039368 -0.731962
C 2.999987 1.216063 1.044812
C 7.756305 0.292475 -0.598476
C 1.554072 0.665461 1.046622
C -0.359915 0.072822 -0.386140
C -2.016319 -1.775574 -0.460903
C -0.677539 -1.310643 -0.323143
C -1.408265 0.994568 -0.644694
C -2.748453 0.573007 -0.815451
C -3.034069 -0.809763 -0.706013
C -3.839770 1.571736 -1.184457
C -2.307298 -3.937379 -1.663454
C -2.613250 -3.833422 0.817443
C -5.597914 3.078255 -0.252658
C -2.603627 -2.974969 2.075851
C -5.423795 4.196086 0.777763
H 5.651114 0.656175 1.236460
H 3.754585 -0.593377 0.022467
H 5.961989 0.093457 -1.791517
H 2.943906 2.295080 0.774235
H 8.064165 0.247881 0.467514
H 7.963089 1.296749 -1.011987
H 5.483437 2.820208 0.572914
H 3.928235 1.802064 -1.522845
H 1.594510 0.753967 -1.006824
H 6.745227 -1.968647 -0.725722
H 2.806850 0.767235 2.962508
H 9.411243 -0.679477 -1.303627
H -1.296701 -3.933951 -2.110523
H -3.031322 -3.513781 -2.381940
H -2.594245 -4.972186 -1.418081
H -4.279901 1.818927 0.846306
H -6.578530 2.587463 -0.097363
H -5.567331 3.475335 -1.281515
H -3.374358 -2.184759 2.024157
H -1.625448 -2.486147 2.231083
H -2.819577 -3.629031 2.932834
H -6.287026 4.890278 0.725254
H -4.485199 4.754064 0.583731
H -5.199620 4.167013 2.808940


