%chk=000298034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298034

0 1
O -2.920427 -1.402909 -0.690090
O -3.097360 1.050313 1.483192
O -4.179830 -0.948384 1.181754
O -0.232419 0.838320 -0.370738
O -0.264951 -2.107566 -0.474737
O -0.437096 2.804804 -1.534746
O 1.795736 -1.180921 -0.675801
N 1.646738 1.742222 -1.164757
C -2.103602 0.161237 0.963249
C -1.656966 0.616027 -0.442141
C -2.857073 -1.184730 0.739258
C -1.940339 -0.591870 -1.374341
C -4.432569 0.486620 1.282880
C -0.724671 -1.470896 -1.702892
C -5.219434 0.723466 2.549880
C -5.037040 1.004557 -0.003989
C 0.274345 1.931862 -1.093293
C 1.017774 -1.863220 -0.040692
C 1.258245 -2.563147 1.242871
C 2.571359 2.699868 -1.695612
C 2.410514 -2.232591 1.974818
C 0.369519 -3.538441 1.720913
C 3.930247 2.325714 -1.727729
C 2.158957 3.957667 -2.164971
C 2.665079 -2.874197 3.188552
C 0.632498 -4.176805 2.934804
C 4.868140 3.226765 -2.231811
C 3.117553 4.841503 -2.664143
C 1.777234 -3.844105 3.667896
C 4.468875 4.483860 -2.699353
H -1.280635 0.155983 1.702172
H -2.175775 1.550810 -0.761235
H -2.512318 -2.115285 1.210098
H -2.452428 -0.288164 -2.315902
H 0.096885 -0.894305 -2.169532
H -1.017869 -2.332747 -2.332350
H -6.055413 0.014609 2.629331
H -5.621863 1.742895 2.594069
H -4.585965 0.582541 3.438531
H -4.660129 0.440431 -0.871345
H -4.801295 2.065660 -0.156003
H -6.128552 0.895489 -0.013264
H 2.025696 0.840566 -0.814430
H 3.100052 -1.478200 1.588155
H -0.519316 -3.794688 1.137734
H 4.248677 1.348275 -1.371175
H 1.103199 4.243826 -2.144927
H 3.556551 -2.619882 3.761156
H -0.054077 -4.935325 3.309838
H 5.920854 2.945677 -2.261095
H 2.803701 5.819735 -3.029556
H 1.979189 -4.343805 4.616128
H 5.207593 5.179683 -3.089830


%chk=000298034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298034

0 1
O -3.061488 -1.239333 -0.959631
O -3.257892 0.940000 1.586954
O -4.376452 -1.057598 1.063199
O -0.264538 0.947876 -0.212572
O -0.228653 -1.982067 -0.409711
O -0.454113 2.960587 -1.444693
O 1.908524 -1.042724 -0.582291
N 1.607759 1.815157 -1.118401
C -2.263846 0.074061 0.935905
C -1.690713 0.655456 -0.377154
C -3.054835 -1.211215 0.531851
C -1.902562 -0.463149 -1.443632
C -4.617723 0.402308 1.294916
C -0.676669 -1.360361 -1.684044
C -5.465253 0.544363 2.552569
C -5.224730 1.058062 0.046394
C 0.255517 2.028816 -0.993767
C 1.077506 -1.764289 0.031086
C 1.363458 -2.489531 1.299795
C 2.571274 2.689161 -1.693359
C 2.626226 -2.282922 1.915675
C 0.420868 -3.369143 1.895458
C 3.909656 2.217017 -1.763424
C 2.250342 3.983785 -2.179986
C 2.939736 -2.943947 3.120088
C 0.740773 -4.030406 3.099068
C 4.918842 3.033541 -2.311935
C 3.274246 4.788645 -2.724691
C 1.997714 -3.817857 3.714225
C 4.608599 4.326492 -2.795474
H -1.456793 -0.109329 1.661980
H -2.224422 1.580209 -0.655222
H -2.657545 -2.168354 0.900246
H -2.198866 -0.046712 -2.423766
H 0.160208 -0.797893 -2.132966
H -0.971318 -2.199947 -2.335385
H -6.455061 0.083252 2.396432
H -5.604215 1.611873 2.793284
H -4.964467 0.048161 3.398604
H -4.611310 0.854789 -0.845561
H -5.303102 2.148427 0.198138
H -6.232920 0.648289 -0.136138
H 1.922815 0.878942 -0.815902
H 3.341453 -1.605761 1.437882
H -0.542610 -3.535324 1.405833
H 4.151075 1.213819 -1.391357
H 1.218549 4.339235 -2.135499
H 3.912569 -2.780891 3.595637
H 0.014858 -4.710474 3.557044
H 5.947314 2.659010 -2.361713
H 3.022179 5.787510 -3.098433
H 2.242653 -4.331809 4.650321
H 5.393182 4.960996 -3.221079


