%chk=000122428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000122428

0 1
O -3.239149 2.665881 0.020262
O -2.418979 -3.719088 0.114508
O 2.831225 -1.862827 1.822328
O 2.563800 -2.434064 -0.240701
O 8.020205 1.380955 -0.513652
O 7.866401 -0.681367 0.128861
N -4.640459 0.452212 0.218074
N -0.605419 -2.290417 -0.068248
N 0.912013 -0.008919 -0.077553
N 1.710427 1.000571 -0.163641
N 2.981160 -1.686550 0.630945
N 7.384906 0.393680 -0.187160
N 2.823951 4.079731 -1.188708
C -5.604354 -0.688597 0.261824
C -6.140782 -0.984137 -1.153469
C -6.738931 -0.348639 1.247918
C -7.092788 0.102325 -1.665240
C -7.696832 0.724260 0.716181
C -8.234324 0.359903 -0.673598
C -3.293624 0.308948 0.098727
C -2.461994 1.518156 0.014692
C -2.640804 -0.937372 0.066654
C -1.250451 -1.044983 -0.013447
C -1.108481 1.443061 -0.056562
C -0.437010 0.163531 -0.053031
C -2.539898 3.930567 -0.097761
C -1.219559 -3.583117 0.014103
C -0.228385 -4.701577 -0.039937
C 3.091899 0.718052 -0.159601
C 3.751255 -0.490815 0.206567
C 3.921208 1.830891 -0.529233
C 5.142092 -0.600039 0.203044
C 5.308464 1.723371 -0.537330
C 5.914486 0.505377 -0.173656
C 3.312753 3.073865 -0.895267
H -5.056962 -1.599660 0.638194
H -5.297022 -1.113903 -1.859770
H -6.665328 -1.960927 -1.131946
H -6.317859 -0.033427 2.222820
H -7.305455 -1.279980 1.454904
H -6.534539 1.039440 -1.853627
H -7.507788 -0.200272 -2.646439
H -8.539669 0.850544 1.423790
H -7.190582 1.707735 0.679543
H -8.885659 1.171175 -1.050490
H -8.878887 -0.537968 -0.602724
H -5.049039 1.391644 0.185198
H -3.246942 -1.854328 0.107954
H -0.473040 2.332979 -0.118063
H 0.432352 -2.272750 -0.163190
H -1.877857 4.078292 0.761389
H -1.992078 3.975807 -1.044681
H -3.371243 4.646509 -0.085671
H -0.740761 -5.674888 0.038999
H 0.348673 -4.713779 -0.978559
H 0.507689 -4.656075 0.780270
H 5.641977 -1.537804 0.490489
H 5.940891 2.577007 -0.824580


%chk=000122428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122428

0 1
O -3.256027 2.671793 0.374814
O -2.372705 -3.835507 0.050909
O 2.479797 -1.449093 1.981820
O 2.761843 -2.656331 0.061560
O 7.955683 1.295964 -0.949234
O 7.750683 -0.890778 -0.308154
N -4.669062 0.451027 0.443816
N -0.607036 -2.292434 -0.035395
N 0.862888 -0.054131 -0.054720
N 1.622107 1.046759 -0.120970
N 2.888680 -1.577994 0.769061
N 7.255943 0.277845 -0.564545
N 2.756706 4.222677 -1.093945
C -5.675068 -0.636228 0.493057
C -5.992874 -1.191396 -0.927084
C -6.961896 -0.106329 1.174817
C -6.745862 -0.160759 -1.799677
C -7.727678 0.916331 0.297803
C -8.036110 0.334990 -1.103050
C -3.320943 0.287210 0.304022
C -2.501877 1.496981 0.274470
C -2.696696 -0.986462 0.196925
C -1.298937 -1.079337 0.074102
C -1.127032 1.417321 0.157740
C -0.490755 0.132464 0.058532
C -2.521841 3.946297 0.355448
C -1.131758 -3.594723 -0.039401
C -0.088170 -4.691942 -0.184654
C 2.987984 0.790501 -0.141278
C 3.645182 -0.449055 0.178591
C 3.838644 1.884008 -0.547860
C 5.020424 -0.634730 0.021880
C 5.231319 1.719661 -0.680259
C 5.803860 0.459082 -0.410289
C 3.232917 3.154615 -0.845375
H -5.251674 -1.451971 1.110988
H -5.058947 -1.514212 -1.422710
H -6.617282 -2.097946 -0.798103
H -6.712267 0.327372 2.162365
H -7.619519 -0.976504 1.363762
H -6.081708 0.703004 -2.006657
H -6.989229 -0.613079 -2.779342
H -8.663659 1.208147 0.810050
H -7.139674 1.851880 0.182846
H -8.541815 1.094910 -1.728408
H -8.741970 -0.514236 -0.995835
H -4.995242 1.420877 0.504006
H -3.276776 -1.908684 0.209362
H -0.477312 2.295738 0.129000
H 0.414627 -2.186126 -0.112069
H -1.821354 4.003761 1.208762
H -1.966823 4.061458 -0.593565
H -3.290715 4.726654 0.442674
H -0.358450 -5.528855 0.479007
H -0.107378 -5.076066 -1.221389
H 0.934554 -4.351076 0.045214
H 5.502890 -1.590478 0.245482
H 5.872284 2.545331 -0.998216


