%chk=000083757.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083757

0 1
 O  -0.2729000       3.556400     -0.5682000    
 O    3.252400       2.102900     -0.6543000    
 O   -3.559900       1.412900     -0.7637000    
 O   -3.436700      -2.152400     -0.8146000    
 O    3.257200      -1.869500     -0.9071000    
 O   0.5020000      -4.180700     -0.7661000    
 N    1.257900       2.193600      0.6310000    
 N   -2.656300     -0.3596000      0.5435000    
 N    1.504800      -2.488900      0.5802000    
 N  -0.7251000      0.9432000      0.5883000    
 N  -0.5988000      -1.452900      0.5620000    
 N    1.412900     -0.1458000      0.6068000    
 C   0.6174000      0.9360000      0.6077000    
 C   -1.264100     -0.2865000      0.5657000    
 C   0.7356000      -1.305000      0.5833000    
 C   0.4856000       3.426900      0.6351000    
 C    2.709400       2.294400      0.6527000    
 C   -3.486800      0.8462000      0.5451000    
 C   -3.355300      -1.645900      0.5184000    
 C    2.946400      -2.439200      0.3660000    
 C   0.8615000      -3.793500      0.5551000    
 C  -0.9637000       4.797200     -0.6241000    
 C    4.670200       2.199000     -0.6549000    
 C   -4.374600       2.577100     -0.7887000    
 C   -4.178600      -3.363100     -0.8732000    
 C    4.659700      -1.802900      -1.126200    
 H  -0.1928000       3.439000       1.497700    
 H    1.144400       4.298600      0.7278000    
 H    3.138800       1.558200       1.344500    
 H    3.020900       3.280100       1.019600    
 H   -3.089400       1.587600       1.250200    
 H   -4.504300      0.6109000      0.8805000    
 H   -2.852300      -2.378400       1.162600    
 H   -4.371900      -1.532900      0.9148000    
 H    3.381500      -3.444600      0.4170000    
 H    3.414500      -1.842000       1.158800    
 H  -3.5200000E-02  -3.814400       1.185400    
 H    1.535800      -4.559300      0.9551000    
 H   8.5699998E-02  -5.057200     -0.7031000    
 H   -1.542200       4.827200      -1.551300    
 H  -0.2550000       5.630800     -0.6272000    
 H   -1.653000       4.890300      0.2208000    
 H    5.026400       2.026900      -1.674100    
 H    5.106800       1.439600      6.9999998E-04
 H    4.986100       3.197400     -0.3378000    
 H   -4.381500       2.970500      -1.808700    
 H   -3.968400       3.343500     -0.1218000    
 H   -5.401600       2.332300     -0.5012000    
 H   -4.196500      -3.705800      -1.911200    
 H   -5.208500      -3.198400     -0.5420000    
 H   -3.703000      -4.133700     -0.2588000    
 H    4.834100      -1.343500      -2.102700    
 H    5.094400      -2.807000      -1.129000    
 H    5.139200      -1.186800     -0.3596000    


%chk=000083757-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083757

0 1
O 0.439625 3.924326 -0.430712
O 3.348184 2.349211 -0.351908
O -3.695314 0.907187 -0.969165
O -2.718913 -2.300861 -0.678615
O 3.495185 -2.834899 -0.808287
O 0.009524 -3.633289 -0.674996
N 1.401182 2.302868 1.043690
N -2.527542 -0.332392 0.696765
N 1.630225 -2.422378 0.727550
N -0.592161 1.043474 0.856622
N -0.441910 -1.373676 0.840174
N 1.587351 -0.043476 0.905789
C 0.778356 1.058593 0.925288
C -1.140823 -0.206583 0.805169
C 0.924136 -1.240199 0.841678
C 0.609846 3.516069 0.972186
C 2.851277 2.376333 1.031764
C -3.357822 0.830861 0.461360
C -3.100714 -1.664104 0.597793
C 3.086595 -2.438170 0.533434
C 0.841190 -3.670015 0.506466
C -0.674752 4.854917 -0.594030
C 4.761189 1.975165 -0.410311
C -4.340366 2.177798 -1.299255
C -3.462307 -3.546444 -0.900878
C 2.979499 -1.941065 -1.862239
H -0.380265 3.320361 1.426268
H 1.142146 4.315211 1.530358
H 3.257694 1.509199 1.587524
H 3.153415 3.326730 1.519844
H -2.784071 1.723961 0.771966
H -4.296305 0.747151 1.053145
H -2.730136 -2.297991 1.428814
H -4.203380 -1.562856 0.648942
H 3.544603 -3.203454 1.182201
H 3.455575 -1.427478 0.787796
H 0.235170 -3.852178 1.415908
H 1.567490 -4.481220 0.348661
H -0.740723 -2.980562 -0.515024
H -0.737221 5.063865 -1.673197
H -0.510229 5.809120 -0.047348
H -1.632386 4.405816 -0.248708
H 5.022130 1.947763 -1.479564
H 4.934390 0.972941 0.038424
H 5.412242 2.715626 0.103031
H -4.545781 2.141235 -2.379951
H -3.673160 3.039885 -1.081083
H -5.297073 2.316195 -0.749198
H -3.075567 -3.962208 -1.842864
H -4.549874 -3.348165 -0.997728
H -3.292229 -4.279195 -0.083944
H 3.497534 -2.245005 -2.785002
H 3.199904 -0.879183 -1.631335
H 1.888564 -2.076013 -1.986471


