%chk=000020058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020058

0 1
 O  -0.1559000      0.6963000      -1.173000    
 O   -2.649200     -0.9016000     -0.7038000    
 O  -0.7502000      -2.366500      0.5948000    
 O  -0.4768000       3.278700     -0.1263000    
 O    1.962600      -2.823500      -1.264600    
 O   -4.168300      0.8383000     -0.6633000    
 O   -2.034600      -2.015100       2.482700    
 O    5.674700     -0.4905000      0.1574000    
 O  -7.8500003E-02   4.390000       1.859600    
 N    1.673500     -0.6183000     -0.5489000    
 N    3.809900      -1.660300     -0.5554000    
 C   -1.825800     -0.2150000      0.2386000    
 C  -0.5362000     -0.9763000      0.4619000    
 C   -1.330200       1.066500     -0.4176000    
 C   0.2578000     -0.6237000     -0.7841000    
 C  -0.9300000       2.140400      0.5851000    
 C    2.439200      -1.776000     -0.8224000    
 C    2.290100      0.5245000     -5.2800000E-02
 C   -3.795000     -0.2548000      -1.067000    
 C   -1.524000      -2.759300       1.656400    
 C    3.597800      0.6196000      0.1967000    
 C    4.468400     -0.5450000     -6.1299998E-02
 C  -7.6300003E-02   4.343300      0.6369000    
 C   -4.553600      -1.088400      -2.054900    
 C   -1.664500      -4.251200       1.670400    
 C   0.3750000       5.467800     -0.2451000    
 H   -2.402800     -3.4800000E-02   1.150800    
 H  -2.5100000E-02 -0.6030000       1.359600    
 H   -2.000200       1.511800      -1.156200    
 H   2.5500000E-02  -1.308100      -1.609000    
 H  -0.1428000       1.794100       1.261800    
 H   -1.805200       2.419600       1.184200    
 H    1.672700       1.388900      0.1405000    
 H    4.379500      -2.480400     -0.7445000    
 H    4.043800       1.528000      0.5828000    
 H   -4.822300      -2.046100      -1.602300    
 H   -3.947900      -1.242100      -2.951500    
 H   -5.472100     -0.5674000      -2.339600    
 H   -2.277900      -4.550300       2.525200    
 H   -2.157300      -4.584200      0.7535000    
 H  -0.6797000      -4.714500       1.768800    
 H   0.6918000       6.311000      0.3751000    
 H    1.223800       5.143500     -0.8524000    
 H  -0.4516000       5.793900     -0.8812000    


%chk=000020058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020058

0 1
O -0.136181 1.113895 -0.901025
O -2.757789 -0.840991 -0.735933
O -0.708447 -2.200461 0.518643
O -0.948508 3.679035 0.039054
O 1.871932 -2.022165 -2.180968
O -4.563456 0.588615 -0.385790
O -1.884292 -2.068986 2.523794
O 5.738496 -0.757104 0.120713
O 1.005886 3.235663 1.241767
N 1.672818 -0.391328 -0.477685
N 3.771680 -1.353354 -0.990336
C -1.989608 -0.014060 0.225537
C -0.651116 -0.737811 0.493945
C -1.534628 1.323155 -0.418558
C 0.229893 -0.304563 -0.697833
C -1.574133 2.464805 0.607056
C 2.405661 -1.310906 -1.288819
C 2.304827 0.432952 0.459764
C -4.091447 -0.430318 -0.936620
C -1.361967 -2.770029 1.630634
C 3.651470 0.362314 0.707234
C 4.495514 -0.583842 -0.020498
C 0.381230 3.933350 0.410068
C -4.812280 -1.387836 -1.852505
C -1.312123 -4.274686 1.550638
C 0.914898 5.132535 -0.333337
H -2.594665 0.127626 1.134909
H -0.244911 -0.365097 1.453776
H -2.152842 1.576468 -1.295950
H 0.003181 -0.921929 -1.585478
H -1.051280 2.194706 1.542235
H -2.622547 2.736882 0.810554
H 1.668247 1.178982 0.945799
H 4.322227 -2.014536 -1.547871
H 4.123685 1.023845 1.433393
H -5.247439 -2.208066 -1.252292
H -4.119691 -1.833425 -2.582931
H -5.633790 -0.865153 -2.364982
H -1.875215 -4.711332 2.387349
H -1.731282 -4.617235 0.589306
H -0.264124 -4.619961 1.588318
H 1.787124 5.542222 0.196561
H 1.231477 4.816371 -1.344154
H 0.135614 5.901554 -0.451883


