%chk=000015003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015003

0 1
 O   -1.043600     -0.1060000      9.4899997E-02
 O    1.082000      0.3758000       1.634900    
 O   2.2900000E-02   1.469200      -1.197200    
 N   -4.730500     -0.1266000     -0.3517000    
 C   -2.295200      0.2983000     -0.4503000    
 C   -2.522300       1.780300     -0.1642000    
 C   -3.417000     -0.5609000      0.1401000    
 C   -3.919000       2.199000     -0.6049000    
 C   -4.987500       1.279600     -9.7000003E-03
 C   -5.787300     -0.9852000      0.1825000    
 C    1.338400      1.1100000E-02  0.2634000    
 C   5.9799999E-02  0.5682000     -0.3677000    
 C   -7.148700     -0.5807000     -0.3572000    
 C    2.621100      0.6832000     -0.2322000    
 C    1.439700      -1.511400      0.1464000    
 C    2.712700       1.027400      -1.561100    
 C    1.943400      -2.221700       1.211700    
 C    3.632700      0.9176000      0.6701000    
 C    1.022900      -2.111700      -1.019400    
 C   0.9306000       1.775700       1.761100    
 C    3.881500       1.640100      -2.013000    
 C    2.035600      -3.609500       1.105200    
 C    4.801500       1.530500      0.2183000    
 C    1.115100      -3.499500      -1.125700    
 C   0.6638000       2.114100       3.212300    
 C    4.925800       1.891600      -1.123400    
 C    1.621400      -4.248300     -6.3299999E-02
 H   -2.267400      0.1308000      -1.536100    
 H   -1.822200       2.454100     -0.6591000    
 H   -2.404900       1.967000      0.9116000    
 H   -3.232200      -1.605900     -0.1410000    
 H   -3.369900     -0.5298000       1.237600    
 H   -3.980400       2.175600      -1.700500    
 H   -4.109600       3.233100     -0.2955000    
 H   -5.028900       1.417500       1.078900    
 H   -5.939400       1.627100     -0.4233000    
 H   -5.597400      -2.020600     -0.1259000    
 H   -5.807900     -0.9712000       1.279600    
 H   -7.534900      0.3272000      0.1162000    
 H   -7.130600     -0.4385000      -1.443200    
 H   -7.874500      -1.374100     -0.1455000    
 H    1.951300      0.7916000      -2.295800    
 H    2.279900      -1.744300       2.126300    
 H    3.571600      0.6234000       1.713200    
 H   0.6377000      -1.547100      -1.862300    
 H   6.4700000E-02   2.170400       1.223700    
 H    1.803100       2.355700       1.453300    
 H    3.984900       1.907700      -3.060600    
 H    2.432100      -4.192600       1.931400    
 H    5.617500       1.720500      0.9094000    
 H   0.7954000      -3.996900      -2.036800    
 H  -0.2335000       1.598400       3.570600    
 H   0.5276000       3.191100       3.347300    
 H    1.495300       1.783200       3.843300    
 H    5.837800       2.364200      -1.476100    
 H    1.694400      -5.328700     -0.1468000    


%chk=000015003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015003

0 1
O -1.063429 0.382291 0.206744
O 1.191594 0.320400 1.629871
O 0.006529 0.476399 -1.857648
N -4.771663 -0.008547 -0.094373
C -2.395471 0.535445 -0.471871
C -2.719138 2.024041 -0.667655
C -3.404012 -0.145836 0.464105
C -4.180188 2.164285 -1.157799
C -5.152516 1.421667 -0.218262
C -5.755030 -0.823295 0.667299
C 1.348391 0.012612 0.198451
C 0.054201 0.345831 -0.611750
C -7.111062 -0.971099 -0.047032
C 2.605506 0.718156 -0.351110
C 1.456185 -1.529628 0.109344
C 2.568791 1.842248 -1.211152
C 1.112335 -2.342415 1.214629
C 3.861884 0.270370 0.135242
C 1.861756 -2.132984 -1.106821
C 1.075330 1.753732 1.967630
C 3.765173 2.497339 -1.585215
C 1.193204 -3.749849 1.107856
C 5.054736 0.923731 -0.235383
C 1.934087 -3.538392 -1.212106
C 0.829288 1.823156 3.473949
C 5.011590 2.042338 -1.101502
C 1.602617 -4.352816 -0.103476
H -2.351920 0.016679 -1.446197
H -2.016050 2.477620 -1.388317
H -2.599060 2.543244 0.304573
H -3.154677 -1.218180 0.552380
H -3.311878 0.310376 1.483882
H -4.276256 1.740654 -2.175514
H -4.458120 3.233635 -1.212303
H -5.156339 1.924473 0.786760
H -6.176739 1.483567 -0.623765
H -5.310888 -1.828791 0.795987
H -5.916650 -0.409005 1.697025
H -7.667845 -0.018432 -0.096658
H -6.959692 -1.338711 -1.077153
H -7.746233 -1.695741 0.494657
H 1.615958 2.196068 -1.613750
H 0.797425 -1.862417 2.144191
H 3.894364 -0.591377 0.810960
H 2.113998 -1.501881 -1.966111
H 0.228810 2.201094 1.407790
H 2.008436 2.281748 1.686580
H 3.720666 3.361052 -2.258261
H 0.934616 -4.374225 1.970827
H 6.015470 0.562038 0.148026
H 2.248820 -3.996513 -2.156391
H -0.103360 1.295899 3.738891
H 0.743782 2.876548 3.798466
H 1.663270 1.354884 4.025151
H 5.937336 2.549889 -1.395372
H 1.661466 -5.444277 -0.184521


