%chk=000215547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215547

0 1
O 0.312813 -0.130833 -0.473524
O 2.405823 -1.862434 -1.588708
O 5.113994 -0.993920 -1.082985
O -2.254372 -0.066368 -0.451618
O -2.433559 1.792549 0.839145
N -5.664467 -1.143931 0.515418
C 1.957247 1.251179 0.417321
C 1.676600 0.080922 -0.346787
C 0.665208 1.795208 0.786121
C 2.707500 -0.716075 -0.871528
C 4.021861 -0.302661 -0.601827
C -0.277255 0.949788 0.240811
C 3.288665 1.641728 0.651656
C 4.317208 0.867519 0.143225
C 3.518832 -2.289722 -2.424855
C 4.801297 -2.322695 -1.598293
C 0.418039 3.007172 1.583384
C -1.738375 0.977022 0.268361
C -4.268903 -0.678627 0.791289
C -3.711384 -0.173677 -0.545965
C -6.595369 -0.736254 1.607816
C -5.706674 -2.622515 0.314182
H 3.494341 2.542503 1.228137
H 5.362704 1.128565 0.300771
H 3.588149 -1.597460 -3.283318
H 3.185037 -3.288887 -2.757709
H 4.718135 -2.996705 -0.725965
H 5.703204 -2.558580 -2.190292
H 0.840695 3.902362 1.101345
H -0.664722 3.193557 1.723369
H 0.866461 2.931868 2.585981
H -3.603403 -1.464531 1.207048
H -4.252995 0.155120 1.529451
H -4.130889 0.803614 -0.836271
H -3.813701 -0.903517 -1.369301
H -6.600073 0.364118 1.681273
H -6.360263 -1.150942 2.598559
H -7.618540 -1.044311 1.337818
H -5.449492 -3.219415 1.201366
H -5.016513 -2.898665 -0.499070
H -6.720862 -2.905869 -0.011130


%chk=000215547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215547

0 1
O 0.382671 -0.149896 -0.520006
O 2.507012 -1.863032 -1.616992
O 5.243934 -0.985976 -1.030442
O -2.291389 -0.127667 -0.480900
O -2.411395 1.864828 0.744239
N -5.760890 -1.098364 0.681427
C 1.974772 1.300268 0.354244
C 1.751140 0.099160 -0.377515
C 0.662929 1.828956 0.689430
C 2.794236 -0.699059 -0.879928
C 4.114351 -0.252956 -0.600499
C -0.265457 0.936528 0.151822
C 3.305249 1.736695 0.599028
C 4.363158 0.948979 0.119167
C 3.685152 -2.360075 -2.364819
C 4.917971 -2.366121 -1.455854
C 0.394959 3.089387 1.462509
C -1.730454 0.960486 0.183826
C -4.318964 -0.794378 0.818089
C -3.782851 -0.187927 -0.494219
C -6.530118 -0.912969 1.927101
C -6.023670 -2.406403 0.050469
H 3.504970 2.659282 1.151714
H 5.407324 1.228214 0.288837
H 3.855271 -1.711691 -3.245708
H 3.414678 -3.376019 -2.692369
H 4.732650 -2.987636 -0.558599
H 5.812592 -2.729638 -1.985703
H 0.828991 3.964607 0.942702
H -0.685796 3.252908 1.585410
H 0.864290 3.039893 2.463373
H -3.713146 -1.696189 1.078449
H -4.179501 -0.055970 1.626451
H -4.195905 0.823708 -0.642573
H -4.008354 -0.826920 -1.361820
H -6.373529 0.108824 2.314414
H -6.256117 -1.638114 2.734854
H -7.608518 -1.034453 1.716624
H -5.715487 -3.271319 0.691561
H -5.482010 -2.487517 -0.908073
H -7.102745 -2.506234 -0.165019


