%chk=000119304.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000119304

0 1
O -3.939441 0.159225 -1.296392
O 0.636934 3.668821 0.236870
O -1.299333 0.542410 -2.563545
O 9.592660 -1.156739 -0.592343
O 8.621159 -2.018898 1.227842
N -0.490761 0.334114 -0.354620
N -0.314598 2.352172 -1.425868
C -5.077528 -1.342737 0.163913
C -6.045651 -1.854335 -0.922340
C -5.678651 -0.119129 0.880480
C -3.711403 -1.004510 -0.484954
C -7.422436 -2.180646 -0.330380
C -7.057326 -0.440360 1.471255
C -8.017258 -0.965449 0.394704
C -2.625859 -0.678695 0.562260
C -1.197242 -0.901820 0.049391
C 0.025149 1.294052 0.674850
C 1.352240 0.837113 1.292690
C 2.464913 0.610452 0.261965
C 0.191866 2.612347 -0.122625
C -0.792359 1.003180 -1.564039
C 3.755217 0.129207 0.937862
C 4.871590 -0.091166 -0.092080
C 6.153467 -0.592040 0.582987
C 7.275003 -0.799078 -0.440597
C 8.488896 -1.397009 0.201513
H -4.916186 -2.157426 0.910048
H -6.144671 -1.077151 -1.708809
H -5.628925 -2.747056 -1.421393
H -5.757559 0.716759 0.153116
H -5.000855 0.233652 1.676872
H -3.380667 -1.837240 -1.145825
H -8.106075 -2.510604 -1.134849
H -7.339819 -3.032517 0.370916
H -6.956508 -1.188815 2.279870
H -7.481353 0.465855 1.942727
H -8.229503 -0.162440 -0.337794
H -8.988300 -1.232787 0.849656
H -2.788881 -1.290373 1.470315
H -2.773426 0.371363 0.889220
H -1.193791 -1.585232 -0.835564
H -0.577472 -1.395795 0.832466
H -0.732536 1.455769 1.486338
H 1.674667 1.604070 2.030493
H 1.182412 -0.092756 1.872174
H -3.259390 0.221039 -2.010344
H 2.660526 1.547078 -0.297299
H 2.133114 -0.129520 -0.494295
H 3.565471 -0.809837 1.493524
H 4.083837 0.867803 1.695589
H -0.332889 3.023907 -2.188643
H 5.072537 0.852715 -0.636298
H 4.537866 -0.816879 -0.859536
H 6.483091 0.126095 1.360909
H 5.959867 -1.543003 1.122693
H 7.540525 0.158823 -0.941201
H 6.940073 -1.468467 -1.264911
H 10.427771 -1.544611 -0.219463


%chk=000119304-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119304

0 1
O -3.814200 0.162148 -1.317835
O 0.610902 4.007155 0.115294
O -1.421338 0.784369 -2.667052
O 9.363127 -1.878006 -0.618125
O 8.505916 -1.878478 1.539254
N -0.655581 0.692239 -0.417458
N -0.391805 2.625874 -1.538783
C -4.948218 -1.430115 0.129585
C -5.971904 -1.842266 -0.960135
C -5.528490 -0.295680 1.014699
C -3.592934 -1.052218 -0.521859
C -7.341732 -2.228723 -0.355650
C -6.899171 -0.683936 1.619973
C -7.909716 -1.087627 0.520794
C -2.453712 -0.868674 0.513353
C -1.041087 -0.695085 -0.110924
C -0.075601 1.634425 0.568462
C 1.246173 1.169363 1.227231
C 2.359425 0.790503 0.227679
C 0.109688 2.925163 -0.268217
C -0.880559 1.289931 -1.640366
C 3.631143 0.271594 0.934612
C 4.758088 -0.105749 -0.052757
C 6.011018 -0.664455 0.655523
C 7.127013 -1.029015 -0.341543
C 8.352435 -1.622509 0.325238
H -4.762672 -2.316377 0.778725
H -6.092505 -0.990735 -1.657208
H -5.566527 -2.689196 -1.551304
H -5.634394 0.610744 0.388346
H -4.824509 -0.043192 1.832390
H -3.299705 -1.892368 -1.197041
H -8.054243 -2.482045 -1.165016
H -7.227239 -3.141257 0.267265
H -6.765509 -1.537139 2.318676
H -7.298657 0.158788 2.217730
H -8.120766 -0.207099 -0.120580
H -8.871745 -1.394139 0.976487
H -2.433672 -1.768585 1.161417
H -2.679559 -0.004593 1.165954
H -0.974562 -1.269721 -1.054435
H -0.274287 -1.101284 0.573666
H -0.814614 1.854870 1.366991
H 1.586013 2.003337 1.871083
H 1.033200 0.315385 1.900873
H -3.099608 0.256520 -2.010974
H 2.619663 1.675061 -0.387902
H 1.987729 0.015336 -0.473015
H 3.373841 -0.614641 1.552017
H 4.003379 1.044010 1.638768
H -0.438738 3.279942 -2.320242
H 5.034161 0.787873 -0.650515
H 4.374402 -0.857041 -0.774876
H 6.395346 0.077007 1.382196
H 5.741620 -1.559861 1.247737
H 7.450787 -0.144380 -0.923937
H 6.765838 -1.760717 -1.091686
H 10.150852 -2.271831 -0.153086


