%chk=000083038.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083038

0 1
 O   -3.145400       2.330300      -1.181300    
 O   -4.950200      -1.207800     -0.2976000    
 O   -5.064800      -1.966500       1.871500    
 N   -4.538200       1.282600      0.3490000    
 C    2.948900      9.6000005E-03  0.2076000    
 C    4.310500      0.4203000     -0.3621000    
 C    1.785100      0.8233000     -0.3635000    
 C    5.482400     -0.3412000      0.2617000    
 C   0.4297000      0.4544000      0.2492000    
 C    6.821500      0.1561000     -0.2873000    
 C  -0.7781000       1.220500     -0.2986000    
 C    7.992500     -0.6255000      0.3109000    
 C   -2.093900      0.8577000      0.3928000    
 C    9.327900     -0.1521000     -0.2625000    
 C   -3.294300       1.561900     -0.2275000    
 C    10.49150     -0.9494000      0.3049000    
 C   -4.690200      0.3706000       1.475900    
 C   -5.778800       1.884000     -0.1353000    
 C   -4.922300      -1.061600       1.055700    
 C   -5.165500      -2.540100     -0.7749000    
 C   -5.168400      -2.527200      -2.288600    
 H    2.780000      -1.055700      8.5000005E-03
 H    2.967000      0.1292000       1.298000    
 H    4.309200      0.2624000      -1.447700    
 H    4.453900       1.495800     -0.1985000    
 H    1.971600       1.891100     -0.1955000    
 H    1.740700      0.6765000      -1.449400    
 H    5.464200     -0.2156000       1.351000    
 H    5.370400      -1.412700      5.7200000E-02
 H   0.2580000     -0.6197000      0.1033000    
 H   0.4831000      0.6140000       1.333700    
 H    6.938800       1.223400     -6.3500002E-02
 H    6.830500      5.1399998E-02  -1.379100    
 H  -0.8609000       1.022700      -1.374800    
 H  -0.5989000       2.298200     -0.1948000    
 H    7.996300     -0.5066000       1.401200    
 H    7.863400      -1.694800      0.1030000    
 H   -2.012500       1.153500       1.443900    
 H   -2.247100     -0.2249000      0.3338000    
 H    9.474200      0.9105000     -3.6699999E-02
 H    9.322300     -0.2543000      -1.354000    
 H    10.54490     -0.8448000       1.393300    
 H    11.43640     -0.5935000     -0.1174000    
 H    10.39200      -2.013000      6.6200003E-02
 H   -5.552600      0.6947000       2.069400    
 H   -3.813500      0.3937000       2.125000    
 H   -6.485400       1.093700     -0.4032000    
 H   -5.592600       2.508500      -1.012700    
 H   -6.202200       2.505600      0.6589000    
 H   -6.129000      -2.908700     -0.4060000    
 H   -4.362900      -3.191800     -0.4119000    
 H   -5.330600      -3.532000      -2.688400    
 H   -4.217400      -2.142800      -2.672000    
 H   -5.954100      -1.864600      -2.666500    


%chk=000083038-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083038

0 1
O -3.213093 2.469236 -1.005206
O -4.891520 -1.278117 -0.366853
O -5.782992 -1.963582 1.675996
N -4.611007 1.329078 0.459755
C 2.947447 0.163016 0.402063
C 4.277700 0.468810 -0.322430
C 1.725721 0.858669 -0.238990
C 5.499685 -0.222129 0.323732
C 0.393758 0.536410 0.475200
C 6.829475 0.074232 -0.405772
C -0.819500 1.248937 -0.161315
C 8.051354 -0.615049 0.242494
C -2.142657 0.889962 0.543022
C 9.380842 -0.322276 -0.489981
C -3.347059 1.623232 -0.068514
C 10.596271 -1.012863 0.165850
C -4.852211 0.311131 1.476692
C -5.805590 1.932887 -0.157667
C -5.241067 -1.089231 0.962003
C -5.205047 -2.625575 -0.948578
C -4.743392 -2.593901 -2.400748
H 2.780689 -0.934845 0.411905
H 3.029952 0.473509 1.464962
H 4.197323 0.153195 -1.383838
H 4.443015 1.566567 -0.337361
H 1.885613 1.957026 -0.237016
H 1.650168 0.559025 -1.305127
H 5.583948 0.098942 1.383274
H 5.330783 -1.319407 0.345012
H 0.231110 -0.562479 0.461765
H 0.475644 0.824997 1.544878
H 6.997949 1.171472 -0.429152
H 6.746035 -0.249036 -1.464725
H -0.896630 0.984314 -1.232879
H -0.676629 2.345130 -0.132380
H 8.138283 -0.289665 1.300542
H 7.883012 -1.712312 0.268648
H -2.063266 1.140831 1.622138
H -2.311415 -0.204555 0.485396
H 9.547073 0.774183 -0.517315
H 9.293598 -0.649070 -1.546475
H 10.723205 -0.679783 1.213407
H 11.533324 -0.787699 -0.376209
H 10.468331 -2.111954 0.177854
H -5.674650 0.629603 2.144425
H -3.966572 0.179448 2.121842
H -6.408165 1.164945 -0.680325
H -5.465428 2.679752 -0.890672
H -6.431852 2.425005 0.609755
H -6.291925 -2.796888 -0.847949
H -4.678974 -3.388948 -0.347387
H -4.956853 -3.566342 -2.880770
H -3.658690 -2.404100 -2.467652
H -5.268025 -1.804435 -2.965023


