%chk=000181329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181329

0 1
O -3.706940 1.492556 1.288742
O 3.895722 -1.596096 0.137106
C -2.618338 -0.567851 0.424871
C -3.616327 0.603093 0.155592
C -1.253958 -0.044406 -0.102050
C -2.982954 1.498997 -0.933394
C -1.612328 0.897886 -1.275366
C -0.315430 -1.158451 -0.503744
C -2.553612 -0.997480 1.884496
C -5.019996 0.104509 -0.183247
C 0.978759 -1.227393 0.267957
C 1.957500 -0.141777 -0.196303
C -0.595880 -2.036895 -1.470013
C 3.335862 -0.315970 0.463442
C 4.269140 0.820654 0.067593
C 5.262307 0.527189 -1.007499
C 4.179299 2.007485 0.671367
H -2.932638 -1.443181 -0.193063
H -0.786420 0.574399 0.704047
H -2.878277 2.526823 -0.528153
H -3.625009 1.584931 -1.822596
H -1.655165 0.345909 -2.230732
H -0.845587 1.678419 -1.403776
H -2.280205 -0.160754 2.540899
H -3.510429 -1.401912 2.230327
H -1.798515 -1.781124 2.026181
H -5.044480 -0.419103 -1.144849
H -5.403759 -0.585692 0.574719
H -5.723326 0.944753 -0.247375
H 1.457611 -2.224586 0.155218
H 0.780757 -1.128751 1.354701
H -4.135225 1.061632 2.048768
H 2.056593 -0.170616 -1.298910
H 1.555753 0.864392 0.036750
H 0.067145 -2.835694 -1.761593
H -1.511416 -2.024193 -2.040576
H 3.257514 -0.394189 1.575602
H 3.896807 -1.745150 -0.828899
H 4.770346 0.353271 -1.973148
H 5.850044 -0.371783 -0.759765
H 5.977974 1.347502 -1.152226
H 3.472408 2.232813 1.454698
H 4.812272 2.847532 0.429603


%chk=000181329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181329

0 1
O -3.139169 1.734369 1.179202
O 3.987052 -1.580748 0.363604
C -2.614851 -0.550404 0.289561
C -3.495679 0.733930 0.130127
C -1.270526 -0.154452 -0.399440
C -3.022140 1.383166 -1.206150
C -1.763991 0.593061 -1.670556
C -0.314562 -1.325697 -0.630034
C -2.473317 -1.070313 1.730461
C -5.006457 0.452037 0.192569
C 0.964753 -1.336582 0.196980
C 1.972781 -0.235838 -0.232993
C -0.589862 -2.331500 -1.504970
C 3.286199 -0.291317 0.587238
C 4.205046 0.902134 0.318395
C 4.921556 0.932074 -1.019943
C 4.356916 1.880018 1.248758
H -3.080189 -1.345629 -0.331589
H -0.783039 0.588911 0.265672
H -2.783619 2.439270 -0.993508
H -3.822750 1.368280 -1.966922
H -2.032698 -0.145295 -2.449147
H -0.983737 1.247503 -2.097875
H -1.920654 -0.349433 2.362259
H -3.458942 -1.261623 2.197610
H -1.915802 -2.023984 1.745785
H -5.316895 -0.231129 -0.619212
H -5.292473 -0.018095 1.154175
H -5.574046 1.394125 0.090778
H 1.464162 -2.320436 0.127079
H 0.715661 -1.174531 1.267274
H -3.433192 1.381374 2.058456
H 2.199023 -0.349945 -1.313420
H 1.520273 0.766680 -0.106826
H 0.094069 -3.178576 -1.633614
H -1.499203 -2.345309 -2.118360
H 3.038531 -0.323148 1.663526
H 4.103051 -1.705263 -0.613796
H 4.214174 0.853205 -1.868761
H 5.633629 0.087876 -1.102258
H 5.496384 1.864807 -1.144477
H 3.854974 1.829649 2.222903
H 4.987157 2.758478 1.066841


