%chk=000206985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206985

0 1
O 2.051519 0.292273 0.219805
O -4.121653 -0.125973 -0.344089
O 2.048390 0.591812 -2.046798
O 3.837644 2.729712 2.835817
O 1.997357 1.973486 1.997171
N 3.534806 -1.689650 -1.184516
N 3.211288 1.965141 2.117223
C 4.174431 -0.836260 -0.297390
C 5.563755 -0.926198 -0.016341
C 3.388575 0.164577 0.393175
C 3.982712 0.971475 1.361855
C 6.150749 -0.059668 0.960043
C 5.383299 0.848939 1.634620
C 6.318607 -1.913735 -0.728625
C -0.032150 0.245204 -0.812952
C -2.766134 0.024339 -0.396549
C -4.801889 0.139998 0.928719
C -6.256810 -0.102831 0.639968
C 1.402759 0.369137 -1.067094
C -0.871969 -0.156463 -1.876466
C -0.574358 0.535832 0.451546
C -2.236355 -0.272092 -1.676727
C -1.946986 0.429644 0.668989
C 5.683865 -2.737666 -1.621861
C 4.267451 -2.598640 -1.816755
C -6.798224 0.231867 -0.608834
C -7.076970 -0.646394 1.639758
C -8.158004 0.023755 -0.855777
C -8.437219 -0.843922 1.388356
C -8.978964 -0.510407 0.142243
H 7.219272 -0.143555 1.158284
H 5.812317 1.514022 2.394926
H 7.390880 -1.991719 -0.544868
H -4.611760 1.193075 1.210771
H -4.390574 -0.548101 1.688921
H -0.434503 -0.374397 -2.855128
H 0.094698 0.857182 1.264944
H -2.910066 -0.583683 -2.472787
H -2.353761 0.662784 1.647767
H 6.224195 -3.496829 -2.185739
H 3.742996 -3.264319 -2.515321
H -6.150128 0.641814 -1.385042
H -6.661913 -0.915467 2.609057
H -8.577394 0.279661 -1.827805
H -9.076254 -1.262034 2.164805
H -10.038727 -0.668427 -0.050395


%chk=000206985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206985

0 1
O 2.140162 0.513878 0.434998
O -4.156172 -0.117373 -0.515748
O 2.124533 0.731947 -1.913728
O 4.574148 3.519808 1.934172
O 2.555426 2.500339 2.231716
N 3.301278 -1.751919 -0.656523
N 3.773400 2.507523 1.813994
C 4.132591 -0.817796 -0.062956
C 5.565123 -0.983368 0.024068
C 3.516903 0.358102 0.510193
C 4.330262 1.290058 1.181203
C 6.354650 0.005925 0.695028
C 5.747722 1.117929 1.264572
C 6.126669 -2.159412 -0.571898
C 0.032538 0.358024 -0.703601
C -2.770146 0.040488 -0.499883
C -4.855911 -0.232399 0.785554
C -6.342403 -0.330211 0.518120
C 1.486634 0.526380 -0.866680
C -0.776462 0.338075 -1.876019
C -0.580477 0.222750 0.567746
C -2.163609 0.177398 -1.778237
C -1.974587 0.065299 0.677140
C 5.284857 -3.086678 -1.187586
C 3.872542 -2.843915 -1.194698
C -6.964313 0.514207 -0.435391
C -7.133780 -1.243325 1.256187
C -8.359071 0.445607 -0.642945
C -8.531948 -1.304945 1.056295
C -9.147987 -0.460219 0.105460
H 7.440333 -0.123584 0.758958
H 6.324472 1.892507 1.776054
H 7.210432 -2.316132 -0.534876
H -4.616099 0.668565 1.388895
H -4.491260 -1.127272 1.327497
H -0.293107 0.447203 -2.852206
H 0.042809 0.251237 1.465045
H -2.802203 0.153226 -2.665888
H -2.424503 -0.035354 1.668391
H 5.680193 -3.993685 -1.654613
H 3.191004 -3.568949 -1.654142
H -6.349449 1.205361 -1.021240
H -6.659389 -1.910625 1.986589
H -8.831492 1.097415 -1.386281
H -9.134826 -2.014758 1.633361
H -10.230685 -0.510033 -0.055194


