%chk=000057979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057979

0 1
 O   -2.545100       2.554800     -0.4041000    
 O    2.652400       2.485200     -0.5055000    
 O   -2.401100       1.103900       1.331600    
 O    2.534100       1.107300       1.290600    
 N  -4.1200001E-02  -1.258800     -0.4438000    
 C   -2.529500      -1.220200     -0.4815000    
 C    2.444900      -1.284300     -0.4351000    
 C   -1.253800      -1.623000      0.2812000    
 C    1.145300      -1.578200      0.3369000    
 C   -2.546500      0.2469000     -0.9545000    
 C    2.564800      0.1589000     -0.9636000    
 C   -3.776000      -1.570800      0.3380000    
 C    3.664700      -1.685400      0.4011000    
 C   -2.490300       1.304600      0.1296000    
 C    2.577300       1.258900      7.8900002E-02
 H   -2.570200      -1.834500      -1.392600    
 H    2.450700      -1.934900      -1.321700    
 H   -1.251600      -1.150300       1.270200    
 H   -1.272300      -2.707600      0.4489000    
 H    1.135700      -2.643800      0.6014000    
 H    1.133800      -1.017000       1.278000    
 H  -1.4600000E-02  -1.749600      -1.336900    
 H   -3.470100      0.4178000      -1.521900    
 H   -1.707400      0.4274000      -1.636300    
 H    1.736700      0.3664000      -1.651400    
 H    3.496700      0.2471000      -1.535900    
 H   -3.795100      -1.054000       1.301900    
 H   -3.810600      -2.647000      0.5395000    
 H   -4.687600      -1.306900     -0.2083000    
 H    3.708200      -1.148500       1.353100    
 H    4.593500      -1.488700     -0.1447000    
 H    3.636200      -2.756600      0.6289000    
 H   -2.506100       3.248900      0.2881000    
 H    2.664300       3.206100      0.1598000    


%chk=000057979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057979

0 1
O -2.925561 2.558508 -0.483518
O 2.966249 2.466551 -0.408320
O -2.558904 1.185427 1.344271
O 2.598013 1.060038 1.393498
N -0.031878 -1.481588 -0.407526
C -2.520242 -1.213542 -0.477456
C 2.464376 -1.296315 -0.475036
C -1.285057 -1.594495 0.378181
C 1.216974 -1.647486 0.375778
C -2.444404 0.254308 -0.967758
C 2.441195 0.182086 -0.937075
C -3.837098 -1.538467 0.264713
C 3.769677 -1.684486 0.256931
C -2.641272 1.309964 0.100901
C 2.667644 1.210421 0.152281
H -2.488419 -1.836503 -1.398811
H 2.407729 -1.899880 -1.407992
H -1.215499 -0.907918 1.240700
H -1.442904 -2.622276 0.788347
H 1.339621 -2.685403 0.771983
H 1.170693 -0.971558 1.248273
H -0.046339 -2.132439 -1.208802
H -3.173223 0.449739 -1.774840
H -1.434559 0.417445 -1.398203
H 1.440856 0.388473 -1.370720
H 3.181319 0.368085 -1.736366
H -3.893766 -0.989961 1.220751
H -3.904455 -2.619971 0.484564
H -4.717343 -1.262241 -0.345333
H 3.847847 -1.160773 1.225287
H 4.658305 -1.425652 -0.348630
H 3.799029 -2.772546 0.451421
H -3.012030 3.238184 0.239800
H 3.073624 3.128370 0.328605


