%chk=000117883.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117883

1 1
O 2.410652 -3.108429 -0.000333
O 0.459630 -2.158200 0.000392
O 6.358459 1.660689 -0.000041
O 6.437812 -0.514282 0.000325
N 0.119354 0.400442 -0.000066
N 1.679386 -2.150129 -0.000004
N 5.869202 0.553357 0.000104
C 1.587766 0.406038 -0.000023
C -2.675306 0.294983 -0.000067
C 2.325653 -0.799351 -0.000013
C -0.564508 0.371689 -1.204800
C -0.564558 0.373018 1.204670
C -1.952134 0.327668 -1.210342
C -1.952184 0.328996 1.210202
C -4.148709 0.222048 -0.000058
C 2.233087 1.643634 0.000015
C 3.725108 -0.747607 0.000028
C 4.362580 0.500960 0.000062
C 3.636184 1.693909 0.000058
C -4.907543 1.402641 -0.000700
C -4.779726 -1.031428 0.000591
C -6.302231 1.323297 -0.000687
C -6.175393 -1.098592 0.000599
C -6.936228 0.075560 -0.000037
H 0.023732 0.378758 -2.138050
H 0.023643 0.381112 2.137936
H -2.493669 0.303264 -2.169290
H -2.493759 0.305641 2.169152
H 1.664552 2.581515 -0.000008
H 4.324669 -1.682387 0.000035
H 4.163767 2.664093 0.000083
H -4.419383 2.376317 -0.001207
H -4.191046 -1.949267 0.001085
H -6.899457 2.237899 -0.001186
H -6.672847 -2.071369 0.001104
H -8.027754 0.018413 -0.000029


%chk=000117883-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117883

1 1
O 2.554832 -3.189775 0.000074
O 0.467383 -2.273861 0.001775
O 6.405822 1.763850 -0.000592
O 6.522357 -0.522066 -0.000029
N 0.123202 0.369613 0.000013
N 1.756030 -2.190707 0.000777
N 5.882400 0.590668 -0.000109
C 1.591024 0.374499 0.000071
C -2.691475 0.303396 -0.000076
C 2.367522 -0.817970 0.000361
C -0.555029 0.356029 -1.199554
C -0.555134 0.357282 1.199534
C -1.952282 0.327891 -1.216806
C -1.952387 0.329170 1.216692
C -4.183004 0.238237 -0.000107
C 2.232594 1.630438 -0.000285
C 3.773818 -0.749616 0.000290
C 4.381424 0.517126 -0.000045
C 3.640597 1.713920 -0.000329
C -4.952069 1.431208 -0.000243
C -4.830356 -1.025477 0.000004
C -6.362840 1.355376 -0.000278
C -6.241665 -1.088816 -0.000013
C -7.009295 0.098190 -0.000159
H 0.053088 0.357829 -2.106139
H 0.052904 0.359982 2.106168
H -2.471313 0.312763 -2.178382
H -2.471502 0.315035 2.178238
H 1.627639 2.542721 -0.000548
H 4.375931 -1.663730 0.000493
H 4.161935 2.675159 -0.000595
H -4.458076 2.409339 -0.000335
H -4.241235 -1.949356 0.000120
H -6.953495 2.277055 -0.000397
H -6.738036 -2.064474 0.000089
H -8.102508 0.043972 -0.000178


