%chk=000053408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053408

0 1
 O  -0.8603000      0.2366000      -1.167500    
 O   0.4804000       4.780800     -0.2394000    
 O   -1.508700       2.932000      -1.286300    
 O    3.368500       1.278500      0.8569000    
 O    3.901000     -0.6347000     -0.2850000    
 N   -4.082400      -1.177300     -6.9499999E-02
 N    1.557900     -0.6066000     -0.1062000    
 C   -5.024000      -2.042000     -0.7946000    
 C   -4.787200     -9.4800003E-02  0.6315000    
 C   -6.046900      -2.664400      0.1573000    
 C   -5.802400     -0.6534000       1.629800    
 C   -6.789900      -1.594500      0.9491000    
 C   -3.083200     -0.6278000     -0.9855000    
 C   -1.806500     -0.2760000     -0.2386000    
 C   2.6600000E-02   1.168700     -0.6955000    
 C    1.249200      0.7580000     -0.1580000    
 C  -0.3180000       2.521900     -0.7627000    
 C   0.6202000       3.425500     -0.2672000    
 C    1.847100       3.057300      0.2752000    
 C    2.173000       1.691000      0.3328000    
 C    2.482300       4.270100      0.6516000    
 C    1.612800       5.282700      0.3184000    
 C    2.820700      -1.203400     -0.1703000    
 C   -2.376600       3.663500     -0.4238000    
 C    2.822600      -2.689000     -0.1175000    
 C    3.397100       1.007000       2.253600    
 C    3.860800      -3.406700     -0.7117000    
 C    1.786700      -3.365600      0.5267000    
 C    3.863000      -4.800600     -0.6621000    
 C    1.789000      -4.759600      0.5764000    
 C    2.827100      -5.477000     -1.7999999E-02
 H   -5.544600      -1.478600      -1.580300    
 H   -4.480200      -2.859300      -1.284000    
 H   -4.084100      0.5294000       1.193400    
 H   -5.303000      0.5618000     -8.1900001E-02
 H   -6.763400      -3.267200     -0.4120000    
 H   -5.536700      -3.344400      0.8513000    
 H   -5.275200      -1.191500       2.427900    
 H   -6.346300      0.1706000       2.105300    
 H   -7.435700      -1.021000      0.2729000    
 H   -7.440100      -2.062600       1.696300    
 H   -3.461200      0.2359000      -1.548400    
 H   -2.808000      -1.369700      -1.748000    
 H   -2.000200      0.4603000      0.5499000    
 H   -1.386800      -1.171400      0.2347000    
 H   0.7607000      -1.217000     -0.2623000    
 H    3.453900       4.391200       1.109300    
 H    1.650500       6.358400      0.4091000    
 H   -2.345200       3.276600      0.6006000    
 H   -2.117100       4.725700     -0.4375000    
 H   -3.397800       3.555100     -0.8004000    
 H    2.638700      0.2673000       2.529100    
 H    4.382700      0.6058000       2.505600    
 H    3.240900       1.928500       2.823200    
 H    4.674900      -2.899400      -1.222800    
 H   0.9760000      -2.843800       1.027100    
 H    4.670700      -5.359500      -1.125500    
 H   0.9861000      -5.286700       1.083600    
 H    2.829500      -6.562400      2.2000000E-02


%chk=000053408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053408

0 1
O -0.835708 0.228241 -0.249458
O 0.481572 4.986813 0.472738
O -1.689371 2.966787 -0.320974
O 3.588410 1.628437 1.421209
O 3.601469 -0.337530 -0.870365
N -4.241417 -1.218086 0.340917
N 1.614418 -0.514263 0.367637
C -4.704448 -2.629881 0.370701
C -5.227708 -0.340555 -0.343061
C -6.056232 -2.752026 1.103006
C -6.597318 -0.389295 0.364145
C -7.119552 -1.841968 0.446692
C -2.871340 -1.071794 -0.204502
C -2.182941 0.161115 0.395605
C 0.017760 1.288674 0.124657
C 1.353600 0.883538 0.493630
C -0.372368 2.648368 0.056379
C 0.624163 3.581390 0.419895
C 1.926932 3.215164 0.837275
C 2.307858 1.848022 0.914679
C 2.619991 4.448205 1.165691
C 1.737396 5.478412 0.932222
C 2.687571 -1.052555 -0.359317
C -1.845981 4.112782 -1.244992
C 2.672229 -2.554245 -0.489647
C 3.856275 0.429905 2.233606
C 3.417178 -3.126019 -1.553402
C 1.975676 -3.407264 0.407289
C 3.446554 -4.523921 -1.733067
C 2.009790 -4.807948 0.228666
C 2.739547 -5.369566 -0.844670
H -4.812895 -3.044114 -0.667336
H -3.937628 -3.235873 0.888632
H -4.842872 0.695283 -0.347714
H -5.355779 -0.650586 -1.414999
H -6.385370 -3.809087 1.093177
H -5.914775 -2.452705 2.159607
H -6.485246 0.023660 1.385190
H -7.315102 0.253098 -0.181617
H -7.339641 -2.212243 -0.576297
H -8.068074 -1.881513 1.014939
H -2.855465 -0.989755 -1.318304
H -2.284568 -1.971661 0.059548
H -2.727846 1.094105 0.183637
H -2.058599 0.047428 1.489612
H 0.758957 -1.080541 0.400685
H 3.644771 4.531438 1.517878
H 1.797835 6.559515 1.018891
H -1.537173 5.054425 -0.761541
H -1.254062 3.949416 -2.164760
H -2.919664 4.137757 -1.485067
H 4.136521 -0.422129 1.594368
H 4.710330 0.709498 2.870366
H 2.983324 0.171637 2.860804
H 3.966436 -2.452256 -2.219245
H 1.438990 -2.989003 1.266908
H 4.019303 -4.955756 -2.561076
H 1.478216 -5.460294 0.930384
H 2.764972 -6.456382 -0.981751


