%chk=000059463.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059463

0 1
 O   0.2186000      -1.454400       1.456300    
 O  -0.8202000       2.576100       1.095000    
 N  -0.7560000      0.4888000     -7.0299998E-02
 N    1.355200      -2.539400     -0.2502000    
 C   6.2500000E-02 -0.4870000     -0.7313000    
 C   0.5413000      -1.525800      0.2675000    
 C   -2.203100      0.2564000      1.4400000E-02
 C    1.897000      -3.610100      0.5831000    
 C    1.722800      -2.602100      -1.659300    
 C   -2.991300      0.7285000     -0.9879000    
 C  -0.2149000       1.679300      0.5091000    
 C   -2.646900     -0.4252000       1.106600    
 C   0.9527000      -4.799200      0.6317000    
 C    3.009400      -1.839000      -1.925600    
 C    1.241100       1.882900      0.3849000    
 C   -4.363400      0.4966000     -0.8899000    
 C   -2.469100       1.473700      -2.173200    
 C   -4.018900     -0.6571000       1.204600    
 C   -4.877000     -0.1962000      0.2063000    
 C    1.737700       2.561500     -0.7149000    
 C    2.079100       1.390800       1.370600    
 C    3.114300       2.753700     -0.8325000    
 C    3.455700       1.583000       1.253300    
 C    3.973200       2.264500      0.1516000    
 H  -0.5535000     -0.9837000      -1.488900    
 H   0.9046000     -1.4800000E-02  -1.234900    
 H    2.031100      -3.224500       1.600000    
 H    2.883200      -3.906900      0.2109000    
 H    1.847100      -3.652000      -1.949200    
 H   0.9267000      -2.208200      -2.294400    
 H   -2.002600     -0.7621000       1.907700    
 H  -2.6500000E-02  -4.508300       1.026400    
 H   0.7968000      -5.223500     -0.3652000    
 H    1.361700      -5.583300       1.276200    
 H    2.935400     -0.7880000      -1.633800    
 H    3.845900      -2.273400      -1.368000    
 H    3.258900      -1.879500      -2.990500    
 H   -5.046600      0.8489000      -1.658300    
 H   -1.782700      0.8471000      -2.751400    
 H   -3.275400       1.779700      -2.848700    
 H   -1.949900       2.384500      -1.857800    
 H   -4.420000      -1.189900       2.061900    
 H   -5.945400     -0.3754000      0.2837000    
 H    1.074500       2.944200      -1.485500    
 H    1.684200      0.8641000       2.234500    
 H    3.517300       3.283700      -1.690600    
 H    4.124400       1.202600       2.019900    
 H    5.045100       2.413800      5.9999999E-02


%chk=000059463-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059463

0 1
O 0.329390 -1.556752 1.546115
O -1.001225 2.765521 0.433196
N -0.710454 0.517954 -0.112994
N 1.321497 -2.683709 -0.226406
C 0.101912 -0.554924 -0.705717
C 0.585640 -1.634502 0.302205
C -2.144849 0.265969 0.007061
C 1.793457 -3.745687 0.700378
C 1.727587 -2.800137 -1.646881
C -3.041417 0.775414 -0.975108
C -0.219713 1.798911 0.172873
C -2.608687 -0.512626 1.091008
C 0.791396 -4.913585 0.810264
C 3.128128 -2.208390 -1.928464
C 1.275689 2.019375 0.144006
C -4.418250 0.469905 -0.831141
C -2.556669 1.643115 -2.119094
C -3.985380 -0.803615 1.212032
C -4.892235 -0.310543 0.247205
C 1.767637 3.139927 -0.574166
C 2.174679 1.230308 0.907383
C 3.145867 3.442777 -0.566436
C 3.551503 1.548827 0.929559
C 4.042970 2.645941 0.184694
H -0.511751 -1.044864 -1.486822
H 0.980729 -0.111091 -1.207134
H 1.936137 -3.284032 1.691773
H 2.775139 -4.104069 0.337960
H 1.714378 -3.874487 -1.911460
H 0.976800 -2.314505 -2.292680
H -1.877549 -0.873451 1.820950
H -0.167518 -4.553755 1.220025
H 0.599515 -5.379483 -0.173947
H 1.185824 -5.694050 1.486471
H 3.161655 -1.128708 -1.697552
H 3.900430 -2.708026 -1.316659
H 3.395548 -2.344115 -2.992468
H -5.125972 0.857498 -1.574006
H -1.659296 1.221349 -2.609664
H -3.341617 1.768760 -2.884276
H -2.276128 2.641713 -1.735996
H -4.344412 -1.402142 2.056434
H -5.962941 -0.528147 0.334142
H 1.058539 3.773552 -1.117526
H 1.791540 0.397548 1.507267
H 3.518483 4.304160 -1.131906
H 4.236555 0.947564 1.537908
H 5.111540 2.888708 0.201496


