%chk=000201215.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201215

0 1
O 0.078168 1.141290 0.919331
O 0.256965 1.726056 -1.259674
O 6.646663 -1.162174 -0.945049
O 6.261502 -1.746628 1.102964
N -6.117315 -1.727554 0.336976
N 5.945614 -1.219201 0.050392
C -2.259521 0.715022 0.395078
C -3.704447 1.188645 0.601631
C -1.268056 1.712639 0.983186
C -4.671345 0.200316 0.016979
C -5.024471 0.244931 -1.339752
C -5.243645 -0.808897 0.819404
C 2.085973 0.568194 -0.163451
C 0.742681 1.205653 -0.282460
C -5.923279 -0.695642 -1.847047
C 2.930089 0.605799 -1.284522
C 2.496411 -0.051180 1.025479
C 4.596731 -0.594900 -0.024960
C 4.195585 0.021198 -1.218571
C 3.761002 -0.638442 1.099294
C -6.449312 -1.666721 -0.978382
H -2.053781 0.576902 -0.688313
H -2.111330 -0.283856 0.853600
H -3.908723 1.337365 1.682412
H -3.849125 2.186554 0.135861
H -1.270388 2.682562 0.455037
H -1.381284 1.857545 2.072993
H -4.599509 1.006349 -1.993696
H -5.001081 -0.893610 1.884791
H -6.211948 -0.679378 -2.895391
H 2.589813 1.093400 -2.205076
H 1.823952 -0.070873 1.889923
H 4.871282 0.038858 -2.081759
H 4.102806 -1.128148 2.018592
H -7.157772 -2.424577 -1.331121


%chk=000201215-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201215

0 1
O 0.096070 1.031693 1.026459
O 0.325787 1.783307 -1.172668
O 6.796583 -1.034664 -1.135149
O 6.459984 -1.755109 1.002818
N -6.501979 -1.471517 0.370994
N 6.075920 -1.152119 -0.071376
C -2.305465 0.613489 0.493261
C -3.745551 1.196177 0.566662
C -1.283365 1.604593 1.066511
C -4.775578 0.242475 -0.014206
C -4.952494 0.100193 -1.414549
C -5.582698 -0.569219 0.824637
C 2.154612 0.568953 -0.107334
C 0.792872 1.186740 -0.171145
C -5.898905 -0.824288 -1.906856
C 2.984225 0.673594 -1.254177
C 2.619401 -0.104697 1.052146
C 4.712954 -0.553351 -0.084380
C 4.273395 0.111507 -1.250328
C 3.907377 -0.671860 1.069366
C -6.647253 -1.589283 -0.981860
H -2.050971 0.391585 -0.559011
H -2.259808 -0.337869 1.054920
H -3.997681 1.419605 1.621822
H -3.771810 2.158209 0.017424
H -1.287209 2.552594 0.498371
H -1.454849 1.799331 2.137927
H -4.360570 0.710130 -2.107954
H -5.493223 -0.493190 1.916344
H -6.059303 -0.951419 -2.982211
H 2.599379 1.198361 -2.133936
H 1.967720 -0.175767 1.926210
H 4.935873 0.175344 -2.117027
H 4.296141 -1.197055 1.945282
H -7.390677 -2.318975 -1.322288


