%chk=000002154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002154

0 1
O 8.209982 2.067709 -1.020235
O 4.475361 0.721199 2.137079
O 6.245863 1.917297 -2.246835
O 7.465434 -3.588807 -1.251936
O 8.199154 -2.875135 0.848646
N 4.867215 0.880399 -0.137105
N -1.657969 0.237984 0.075456
N -5.034372 0.630545 0.670731
N -5.376729 -1.992966 -0.463448
N -7.659288 -1.492622 -0.907716
N -8.590483 0.716940 -0.277041
N -7.233845 2.341653 0.757597
N -9.885810 -0.925291 -1.305686
C 6.304111 1.073619 0.077725
C 7.060714 -0.240495 0.443902
C 6.926077 -1.327239 -0.635809
C 4.009136 0.736730 0.947687
C 2.547560 0.605400 0.658987
C 6.872621 1.720312 -1.179435
C -0.287083 0.364577 0.288123
C -2.655862 0.176706 1.152870
C 1.664263 0.544977 1.767840
C 1.983555 0.540310 -0.646694
C 0.275313 0.431539 1.599314
C 0.598658 0.421717 -0.832497
C 7.594549 -2.626647 -0.232276
C -4.004713 -0.250185 0.609748
C -6.238935 0.206830 0.172960
C -4.203668 -1.555385 0.038530
C -6.445031 -1.099476 -0.408621
C -7.391759 1.101168 0.212555
C -8.657870 -0.564993 -0.814326
H 6.450816 1.766126 0.930700
H 6.641202 -0.597199 1.399466
H 8.123010 0.002191 0.619673
H 5.860069 -1.542161 -0.843048
H 7.365099 -1.013295 -1.603395
H 4.523529 1.034389 -1.088250
H -2.779398 1.153268 1.664474
H -2.314294 -0.555753 1.912712
H 2.104920 0.596362 2.769166
H 2.615427 0.564535 -1.542664
H -2.007176 0.339735 -0.877779
H -0.371140 0.409305 2.481716
H 0.187791 0.362557 -1.847993
H -3.364456 -2.260425 -0.000581
H 8.551268 2.484618 -1.857349
H 7.905816 -4.432654 -0.959857
H -8.022816 2.982815 0.797559
H -6.313305 2.595487 1.117123
H -10.657080 -0.265212 -1.254524
H -9.998734 -1.852060 -1.709042


%chk=000002154-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002154

0 1
O 8.247755 2.014916 -1.005499
O 4.477066 0.740916 2.133726
O 6.292329 1.874682 -2.248490
O 7.439659 -3.630569 -1.228330
O 8.135779 -2.927631 0.872174
N 4.884680 0.874383 -0.139000
N -1.650963 0.325197 0.041022
N -5.057767 0.648684 0.679283
N -5.318613 -1.937602 -0.557232
N -7.626226 -1.509749 -0.943910
N -8.630750 0.633899 -0.207721
N -7.320058 2.267570 0.870937
N -9.879789 -1.014819 -1.282317
C 6.322937 1.047710 0.082986
C 7.058253 -0.276224 0.458349
C 6.914817 -1.364389 -0.618881
C 4.017955 0.754075 0.941677
C 2.556102 0.643224 0.645701
C 6.908254 1.679856 -1.173714
C -0.279865 0.437807 0.261564
C -2.656726 0.266740 1.110522
C 1.667027 0.590665 1.750305
C 1.996913 0.590810 -0.662601
C 0.277517 0.494905 1.575305
C 0.611513 0.489649 -0.854807
C 7.560358 -2.671969 -0.207175
C -3.996203 -0.187570 0.565158
C -6.253812 0.198643 0.183760
C -4.154639 -1.475350 -0.056400
C -6.419561 -1.089831 -0.448154
C -7.439360 1.044724 0.278175
C -8.658157 -0.626849 -0.796226
H 6.474567 1.741036 0.934249
H 6.627560 -0.623994 1.412195
H 8.122769 -0.048377 0.640501
H 5.846760 -1.564379 -0.831352
H 7.363763 -1.060468 -1.585010
H 4.549577 1.020165 -1.094416
H -2.798889 1.247608 1.608966
H -2.310683 -0.450189 1.883030
H 2.103665 0.634196 2.753756
H 2.632385 0.613094 -1.556084
H -1.993104 0.438029 -0.913611
H -0.372773 0.479413 2.455026
H 0.204533 0.439933 -1.872382
H -3.289639 -2.144648 -0.137476
H 8.600786 2.421204 -1.842970
H 7.864236 -4.479907 -0.928129
H -8.132423 2.875083 0.949352
H -6.403959 2.542892 1.225909
H -10.674920 -0.388162 -1.191580
H -9.963937 -1.928034 -1.721965


