%chk=000042366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042366

0 1
 I   0.5476000       3.230500     -0.5021000    
 I   0.9369000      -2.821000      -1.218100    
 I   -4.426200     -0.2503000      0.1537000    
 O    2.188000      0.4603000      -2.227500    
 O    4.002600      -1.101700       1.836900    
 O   -3.087700       3.004300     -0.8736000    
 O    6.035400     -0.5475000       1.015300    
 O   -1.980200      -3.199000       1.688800    
 N    2.659600      0.2468000      3.3399999E-02
 N   -2.192700      -2.466300     -0.5402000    
 N   -2.646300       2.749700       1.388500    
 C   0.3628000      0.1722000     -0.7839000    
 C    4.088600      0.3795000     -7.7200003E-02
 C   -1.738900       1.191800     -0.2462000    
 C   -1.584400      -1.202500     -0.5301000    
 C  -0.3751000       1.311500     -0.5127000    
 C  -0.2205000      -1.082900     -0.7967000    
 C    1.815400      0.2992000      -1.068300    
 C   -2.343700     -6.5200001E-02 -0.2549000    
 C    4.500400       1.839800      3.2800000E-02
 C   -2.535400       2.384600      4.6200000E-02
 C    4.813500     -0.4544000      0.9660000    
 C   -2.345800      -3.353100      0.5280000    
 C   -3.416400       3.886800       1.838600    
 C   -3.057600      -4.613000      0.1034000    
 H    4.389600     -1.4300000E-02  -1.055300    
 H    2.255500      0.1305000      0.9587000    
 H    5.587000       1.951300     -4.6900000E-02
 H    4.042300       2.439700     -0.7602000    
 H    4.193800       2.265500      0.9951000    
 H   -2.438700      -2.806700      -1.467300    
 H   -2.150000       2.206300       2.089000    
 H   -2.747900       4.748700       1.904100    
 H   -3.821900       3.659900       2.827200    
 H   -4.229000       4.103500       1.141000    
 H   -3.988200      -4.363600     -0.4145000    
 H   -3.296400      -5.217100      0.9830000    
 H   -2.411900      -5.191000     -0.5634000    
 H    4.511200      -1.630700       2.487900    


%chk=000042366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042366

0 1
I 0.499202 3.338943 -0.222213
I 0.891094 -2.693768 -1.432913
I -4.528587 -0.228855 0.074031
O 2.273922 0.754849 -2.170567
O 3.964337 -0.954301 2.017845
O -3.196598 3.186776 -0.882394
O 6.047734 -0.905571 0.984500
O -1.377368 -3.165373 1.421329
N 2.680611 0.172811 0.046550
N -2.261985 -2.438962 -0.612099
N -2.860157 2.829653 1.403815
C 0.368628 0.277948 -0.712414
C 4.143325 0.210314 -0.109612
C -1.828496 1.292609 -0.181481
C -1.649354 -1.151834 -0.568546
C -0.431258 1.402900 -0.392257
C -0.259152 -0.988177 -0.816544
C 1.852406 0.430458 -1.020440
C -2.414613 0.007172 -0.266736
C 4.707339 1.659439 -0.116104
C -2.689762 2.525158 0.069632
C 4.838512 -0.605104 0.975495
C -2.098166 -3.388199 0.411273
C -3.661520 3.974017 1.853470
C -2.830878 -4.702042 0.170855
H 4.396978 -0.249411 -1.084470
H 2.301210 -0.133579 0.946542
H 5.799596 1.637111 -0.268275
H 4.238938 2.215572 -0.943808
H 4.485000 2.172496 0.835516
H -2.932087 -2.632257 -1.359983
H -2.415809 2.228052 2.100095
H -3.042810 4.692615 2.421347
H -4.505434 3.642024 2.485270
H -4.060167 4.475438 0.957502
H -3.754917 -4.577502 -0.421083
H -3.078879 -5.154761 1.142726
H -2.164006 -5.399106 -0.369995
H 4.448472 -1.475452 2.712640


