%chk=000183897.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183897

0 1
O -3.514857 0.730580 -0.108283
O -3.233563 -1.448073 1.833334
O -1.173023 -2.604593 0.616676
O -0.020659 3.615167 -0.266960
O 2.416422 2.309725 0.979167
N 1.003909 -1.107778 -0.757299
C -4.223411 -0.559929 -0.239574
C -3.362551 -1.656916 0.424885
C -1.938776 -1.712322 -0.196084
C -1.313156 -0.349747 -0.296413
C -2.155386 0.784325 -0.211841
C 0.085243 -0.110120 -0.377722
C -5.514100 -0.286454 0.515965
C -4.434905 -0.808104 -1.726138
C 0.615428 1.195856 -0.092217
C -1.675781 2.091025 -0.210716
C -0.284639 2.293267 -0.168821
C 2.377351 -1.031872 -0.398220
C 1.988385 1.325717 0.391253
C 2.870110 0.155842 0.175823
C 0.561181 -2.308440 -1.510827
C 3.256856 -2.125557 -0.597117
C 4.224040 0.240630 0.554252
C 4.590046 -2.013237 -0.224151
C 5.083865 -0.831054 0.353370
C 1.314605 4.133540 -0.506294
H -3.854662 -2.655966 0.376812
H -1.966277 -2.232957 -1.183283
H -5.389799 -0.433900 1.600178
H -5.836346 0.756332 0.371456
H -6.329976 -0.937970 0.185433
H -3.491556 -0.791574 -2.286814
H -4.931769 -1.764828 -1.919208
H -5.061878 -0.017906 -2.165915
H -2.356670 2.939363 -0.233571
H -2.935166 -0.521448 2.015732
H -1.255720 -2.353894 1.573430
H 0.315680 -3.142405 -0.818567
H 1.349378 -2.639692 -2.209214
H -0.329256 -2.080044 -2.121752
H 2.899321 -3.059744 -1.023365
H 4.576645 1.172893 1.009998
H 5.264394 -2.857888 -0.376039
H 6.129469 -0.762657 0.643545
H 1.859300 3.516961 -1.223167
H 1.846319 4.191603 0.457295
H 1.090533 5.128640 -0.908329


%chk=000183897-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183897

0 1
O -3.540969 0.738290 0.120407
O -3.252898 -1.402197 1.940730
O -1.114188 -2.601207 0.761052
O 0.087722 3.694379 0.095851
O 2.607439 2.403839 0.830637
N 0.989087 -1.107058 -0.737216
C -4.203876 -0.577381 -0.212870
C -3.347067 -1.653778 0.488874
C -1.914867 -1.722475 -0.103480
C -1.305649 -0.317419 -0.247766
C -2.140588 0.819323 -0.049160
C 0.107641 -0.068174 -0.361508
C -5.609919 -0.457195 0.385363
C -4.250225 -0.748511 -1.743600
C 0.668151 1.237972 -0.068317
C -1.636422 2.128031 0.017590
C -0.249015 2.349066 0.014719
C 2.350853 -1.073439 -0.378442
C 2.092885 1.347491 0.315687
C 2.910728 0.121338 0.163817
C 0.534848 -2.184392 -1.641876
C 3.184233 -2.220870 -0.533044
C 4.277808 0.148922 0.543998
C 4.536930 -2.167523 -0.155974
C 5.096813 -0.979031 0.383406
C 1.207616 4.255405 -0.686930
H -3.813506 -2.649690 0.410475
H -1.973327 -2.266536 -1.060064
H -5.573515 -0.417467 1.486123
H -6.095624 0.459712 0.010895
H -6.223542 -1.326450 0.089109
H -3.254009 -0.630918 -2.203095
H -4.644636 -1.746398 -2.009774
H -4.917471 0.014032 -2.179815
H -2.317124 2.979047 0.081214
H -3.166744 -0.421289 2.081218
H -1.364288 -2.359166 1.696026
H 0.213492 -3.082657 -1.086579
H 1.358722 -2.441735 -2.327594
H -0.295534 -1.806474 -2.257589
H 2.770694 -3.164415 -0.897658
H 4.657617 1.088045 0.959261
H 5.157723 -3.063827 -0.266818
H 6.151279 -0.948495 0.675673
H 1.336999 3.699087 -1.634473
H 2.133020 4.201410 -0.095114
H 0.907303 5.295172 -0.892663


