%chk=000106684.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106684

0 1
 O    2.122400       2.214400      0.4246000    
 C    3.130400      0.1102000     -0.1971000    
 C    2.472500     -0.7767000      -1.265700    
 C   0.9463000     -0.8439000      -1.125300    
 C    2.725500     -0.3526000       1.217100    
 C   0.4691000     -0.9725000      0.2978000    
 C  -0.9728000      -1.344800      0.4796000    
 C    1.284800     -0.7609000       1.344200    
 C    4.657800      7.1000002E-02 -0.3414000    
 C   -1.903400     -0.2981000     -0.1281000    
 C   -3.370900     -0.6757000      9.8800004E-02
 C    2.705300       1.542800     -0.4202000    
 C   -4.364300      0.3766000     -0.4281000    
 C   -4.081700       1.730600      0.2275000    
 C   -5.820900     -2.0300001E-02 -0.1836000    
 H    2.875200      -1.796000      -1.186300    
 H    2.719800     -0.4245000      -2.275400    
 H   0.5842000      -1.692200      -1.718800    
 H   0.5156000      6.3000001E-02  -1.566500    
 H    2.938200      0.4284000       1.957800    
 H    3.329200      -1.221600       1.510600    
 H   -1.151600      -2.320800      1.1500000E-02
 H   -1.209000      -1.466700       1.544400    
 H   0.9068000     -0.8801000       2.356300    
 H    5.044700     -0.9451000     -0.2072000    
 H    4.973900      0.4210000      -1.331100    
 H    5.141000      0.7170000      0.4010000    
 H   -1.733000     -0.1968000      -1.206000    
 H   -1.674100      0.6683000      0.3329000    
 H   -3.575200      -1.635600     -0.3923000    
 H   -3.544300     -0.8310000       1.171700    
 H    2.948200       1.973200      -1.407800    
 H   -4.222600      0.4827000      -1.511100    
 H   -4.042900       1.649100       1.319100    
 H   -3.141300       2.164700     -0.1244000    
 H   -4.867400       2.451900     -2.4599999E-02
 H   -6.031400     -0.1155000      0.8870000    
 H   -6.042800     -0.9816000     -0.6588000    
 H   -6.505600      0.7257000     -0.6006000    


%chk=000106684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106684

0 1
O 2.561281 2.390475 0.366468
C 3.241845 0.060725 -0.188628
C 2.539350 -0.819375 -1.263359
C 1.000590 -0.734100 -1.162535
C 2.798702 -0.361695 1.233885
C 0.501030 -0.929002 0.265026
C -0.964143 -1.294159 0.443769
C 1.337509 -0.762827 1.326112
C 4.788464 -0.045681 -0.346769
C -1.950027 -0.203938 -0.061798
C -3.425113 -0.595309 0.181327
C 2.899646 1.528677 -0.476182
C -4.470466 0.395961 -0.397285
C -4.373771 1.794890 0.258738
C -5.899802 -0.175891 -0.237860
H 2.863270 -1.867172 -1.108359
H 2.877430 -0.520972 -2.276756
H 0.538418 -1.493111 -1.826021
H 0.652674 0.248952 -1.547793
H 2.986636 0.481673 1.928435
H 3.437642 -1.200400 1.582449
H -1.184995 -2.238239 -0.101139
H -1.170302 -1.489407 1.514814
H 0.944133 -0.915631 2.341777
H 5.094394 -1.106364 -0.285763
H 5.129822 0.349619 -1.322626
H 5.308759 0.512304 0.452733
H -1.794048 -0.031563 -1.146633
H -1.713752 0.749177 0.449288
H -3.603741 -1.598306 -0.261866
H -3.600756 -0.702686 1.273415
H 3.015058 1.806285 -1.561071
H -4.263618 0.509876 -1.483666
H -4.533156 1.721070 1.352402
H -3.388052 2.264444 0.090944
H -5.143974 2.476117 -0.149035
H -6.148194 -0.307968 0.833356
H -5.997983 -1.161285 -0.731293
H -6.655057 0.502438 -0.677002


