%chk=000048998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048998

0 1
 O  -0.3800000       1.261700     -0.5264000    
 O   -1.140300       2.243400       1.401700    
 N    2.810700     -9.8700002E-02 -0.3984000    
 C    3.111300      -1.544200     -0.2803000    
 C    3.856100      -1.830100       1.039400    
 C    4.041900      0.7083000     -0.3288000    
 C    5.120700     -0.9915000       1.172300    
 C    4.795600      0.4814000      0.9796000    
 C    2.092400      0.2265000      -1.634000    
 C    1.848100      -2.416300     -0.3147000    
 C    1.693500       1.698700      -1.642800    
 C   0.8043000       2.043700     -0.4559000    
 C   -1.297000       1.452100      0.4775000    
 C   -2.468400      0.5934000      0.2962000    
 C   -3.709700       1.016600      0.7570000    
 C   -2.328200     -0.6371000     -0.3354000    
 C   -4.693500      -1.037800     -4.8999999E-02
 C   -4.826000      0.1982000      0.5840000    
 C   -3.444400      -1.455500     -0.5087000    
 C   -5.887000      -1.913000     -0.2332000    
 H    3.757200      -1.853600      -1.113800    
 H    4.126200      -2.891700       1.095900    
 H    3.195900      -1.625200       1.892900    
 H    3.836800       1.781400     -0.3437000    
 H    4.702100      0.4871000      -1.177900    
 H    5.853700      -1.309500      0.4210000    
 H    5.576500      -1.151000       2.155700    
 H    4.189700      0.8382000       1.822200    
 H    5.722100       1.066900      0.9813000    
 H    2.704900      5.7000001E-03  -2.517700    
 H    1.176500     -0.3643000      -1.730600    
 H    1.392600      -2.437300      -1.309300    
 H    2.087600      -3.455100     -6.0500000E-02
 H    1.099000      -2.062700      0.4027000    
 H    2.541900       2.384200      -1.715300    
 H    1.113400       1.863700      -2.561300    
 H   0.5320000       3.104200     -0.5171000    
 H    1.314700       1.875500      0.4988000    
 H   -3.829000       1.978100       1.249000    
 H   -1.365600     -0.9934000     -0.6921000    
 H   -5.794200      0.5356000      0.9444000    
 H   -3.328100      -2.416800      -1.002100    
 H   -6.612100      -1.767600      0.5747000    
 H   -6.374400      -1.687600      -1.186900    
 H   -5.606000      -2.971600     -0.2243000    


%chk=000048998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048998

0 1
O -0.358937 1.291724 -0.691165
O -1.222265 2.345657 1.200151
N 2.991436 -0.009345 -0.466864
C 2.985297 -1.469059 -0.119986
C 3.633478 -1.663133 1.274851
C 4.372449 0.545368 -0.459839
C 5.058492 -1.078162 1.351289
C 5.040924 0.403188 0.920153
C 2.272782 0.338679 -1.719206
C 1.561347 -2.067260 -0.112101
C 1.777462 1.805562 -1.739301
C 0.865145 2.141738 -0.561348
C -1.332349 1.480630 0.293493
C -2.484346 0.546920 0.138802
C -3.556159 0.647537 1.062759
C -2.535282 -0.439656 -0.879529
C -4.722264 -1.214801 -0.047793
C -4.658042 -0.223784 0.968206
C -3.641998 -1.307855 -0.965599
C -5.923796 -2.134765 -0.162978
H 3.608086 -2.038601 -0.863663
H 3.650631 -2.745362 1.508459
H 2.985346 -1.169152 2.026124
H 4.324545 1.613192 -0.740648
H 5.009682 0.033057 -1.230370
H 5.728673 -1.649033 0.675100
H 5.466191 -1.184405 2.374628
H 4.470495 0.999796 1.658013
H 6.068450 0.813758 0.876291
H 2.905122 0.156300 -2.625182
H 1.385614 -0.306437 -1.807440
H 1.152540 -2.234666 -1.123946
H 1.578382 -3.047992 0.397297
H 0.870349 -1.402686 0.437774
H 2.631048 2.510944 -1.713803
H 1.242832 1.987282 -2.691676
H 0.553942 3.201689 -0.554122
H 1.351395 1.893590 0.398046
H -3.499231 1.409533 1.847222
H -1.705297 -0.516853 -1.587661
H -5.479170 -0.140758 1.690241
H -3.671560 -2.071271 -1.752414
H -6.401013 -2.303019 0.818337
H -6.691988 -1.698204 -0.830969
H -5.644935 -3.116888 -0.583528


