%chk=000054431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054431

0 1
 O    2.149100       1.507100       3.138000    
 O    1.780100     -0.6710000       1.449500    
 O   -2.780500     -0.4111000      0.2473000    
 O   -2.356100      -2.215200      -1.092700    
 N    2.617300       2.161800     -0.4728000    
 N  -0.6847000      -1.233400      0.2269000    
 C    1.804500       2.908400      -1.438600    
 C    2.012000       2.207600      0.8475000    
 C    2.835900       1.441100       1.884900    
 C    1.702300       4.372100     -0.9937000    
 C   0.4097000       2.276200      -1.494600    
 C    2.476600       2.821600      -2.813000    
 C    3.048500     -2.7300000E-02   1.523600    
 C    1.669000      -1.711700      0.5666000    
 C   0.4519000      -1.998700     -4.4599999E-02
 C   -4.892200      0.7077000      0.5036000    
 C    2.795800      -2.480500      0.2893000    
 C   -6.362600      0.7434000      9.6799999E-02
 C   -4.145100     -0.4241000     -0.1876000    
 C   0.3609000      -3.063600     -0.9410000    
 C    2.704700      -3.545200     -0.6071000    
 C    1.487300      -3.836700      -1.222100    
 C   -7.114700       1.847800      0.8219000    
 C   -1.969700      -1.376200     -0.2881000    
 H    3.558800       2.551600     -0.4326000    
 H    1.923100       3.228700       1.233500    
 H    1.004800       1.779600      0.8691000    
 H    3.809000       1.929600       2.015800    
 H    1.041700       4.523800     -0.1338000    
 H    1.283400       4.983500      -1.802900    
 H    2.686000       4.794000     -0.7555000    
 H  -0.1413000       2.656400      -2.364100    
 H   0.4617000       1.186700      -1.607600    
 H  -0.2151000       2.507500     -0.6256000    
 H    3.481300       3.260100      -2.795400    
 H    1.896300       3.357800      -3.572600    
 H    2.572400       1.780900      -3.144700    
 H    3.608300     -7.9200000E-02  0.5818000    
 H    3.628600     -0.5172000       2.314700    
 H    2.697200       1.047100       3.796600    
 H   -4.801500      0.5893000       1.590600    
 H   -4.408000       1.663100      0.2654000    
 H   -6.445900      0.8995000     -0.9850000    
 H   -6.835500     -0.2194000      0.3230000    
 H    3.754800      -2.313400      0.7701000    
 H   -4.179100     -0.2891000      -1.275000    
 H   -4.596900      -1.388400      7.2600000E-02
 H  -0.5433000      -3.353500      -1.457100    
 H  -0.5542000     -0.4706000      0.8871000    
 H    3.579400      -4.152700     -0.8204000    
 H    1.417500      -4.667400      -1.918500    
 H   -7.079200       1.700400       1.906100    
 H   -6.686100       2.829000      0.5940000    
 H   -8.165100       1.856100      0.5146000    


%chk=000054431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054431

0 1
O 1.321531 1.526581 2.928529
O 1.382071 -0.426103 0.806885
O -3.050801 -0.508470 0.359009
O -2.798437 -2.542265 -0.805128
N 2.964409 2.739378 -0.178674
N -0.964275 -1.328169 0.082762
C 2.576956 3.122677 -1.578278
C 1.892343 2.525302 0.818149
C 2.362889 1.520955 1.891198
C 1.687168 4.401136 -1.616038
C 1.835276 1.940408 -2.250696
C 3.901442 3.389340 -2.334688
C 2.644538 0.132101 1.307164
C 1.423366 -1.660098 0.129937
C 0.138611 -2.142937 -0.270318
C -5.152356 0.586112 0.874010
C 2.590539 -2.394758 -0.154227
C -6.693471 0.587415 0.736502
C -4.521862 -0.612077 0.163633
C 0.047692 -3.369290 -0.968065
C 2.487136 -3.623606 -0.851198
C 1.223182 -4.102226 -1.255166
C -7.347440 1.784686 1.458952
C -2.298568 -1.566909 -0.186885
H 3.679385 3.390053 0.178101
H 1.565394 3.448312 1.344281
H 1.003787 2.101036 0.323409
H 3.329819 1.875052 2.319134
H 0.751279 4.249524 -1.047424
H 1.412006 4.663057 -2.654719
H 2.222177 5.264239 -1.175383
H 1.628756 2.174161 -3.310970
H 2.451903 1.025604 -2.203473
H 0.867247 1.724440 -1.764099
H 4.466119 4.220479 -1.867560
H 3.701926 3.667175 -3.384776
H 4.538703 2.487351 -2.323292
H 3.365761 0.262307 0.476244
H 3.067198 -0.554390 2.071975
H 1.442545 0.747502 3.527741
H -4.870560 0.563857 1.944432
H -4.736921 1.521271 0.451372
H -6.968820 0.607880 -0.337631
H -7.102008 -0.359029 1.145515
H 3.572032 -2.024983 0.156133
H -4.736669 -0.612899 -0.921678
H -4.869415 -1.574822 0.583021
H -0.936469 -3.730786 -1.273297
H -0.739084 -0.478427 0.610346
H 3.394047 -4.195720 -1.073597
H 1.142392 -5.051091 -1.795763
H -7.117572 1.768406 2.540756
H -6.976962 2.744146 1.051823
H -8.446835 1.771016 1.346212


