%chk=000259001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259001

0 1
O -0.540015 1.765284 -1.051357
O -1.176174 2.950811 0.776249
O 1.120881 -1.834678 -2.379589
O 0.028804 -3.785848 -2.437219
N -3.843244 2.399157 -0.311322
N -0.655244 -3.501101 0.360205
C -1.645712 -0.652677 0.759215
C -2.875977 0.258444 0.685037
C -1.283053 -1.283029 -0.590707
C -2.748572 1.399102 -0.347805
C -0.178171 -2.346157 -0.426457
C -1.445228 2.158670 -0.092752
C 0.286057 -2.775781 -1.826868
C 0.836222 2.244754 -0.940860
C 1.582538 1.391456 0.045642
C 1.581727 1.736852 1.405879
C 2.274232 0.250913 -0.383929
C 2.287172 0.957096 2.324918
C 2.983356 -0.524049 0.539174
C 2.993659 -0.170525 1.891916
H -0.772717 -0.088392 1.150846
H -1.834294 -1.453963 1.506890
H -3.772973 -0.344508 0.441271
H -3.062472 0.683596 1.693131
H -2.180207 -1.725591 -1.063017
H -0.914340 -0.488664 -1.281841
H -2.721873 0.967804 -1.388682
H 0.702130 -1.887407 0.112564
H -3.855519 2.906049 0.572516
H -4.747121 1.950931 -0.426148
H -1.478792 -3.926516 -0.059360
H 0.057715 -4.222009 0.435569
H 0.821012 3.314661 -0.658931
H 1.189611 2.130311 -1.982674
H 1.015356 2.610428 1.742150
H 2.248507 -0.045346 -1.434894
H 1.425324 -2.081030 -3.294949
H 2.287031 1.228413 3.379538
H 3.531663 -1.401554 0.201285
H 3.549102 -0.772908 2.608764


%chk=000259001-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259001

0 1
O -0.479412 1.791533 -1.016524
O -1.330932 3.070996 0.742269
O 1.109668 -2.159504 -2.533596
O -0.356404 -3.954488 -2.694008
N -3.896360 2.352434 -0.255581
N -0.857188 -3.711744 0.176366
C -1.649827 -0.779329 0.630415
C -2.838769 0.209824 0.642019
C -1.397081 -1.453180 -0.735473
C -2.772335 1.406289 -0.374652
C -0.335197 -2.587758 -0.610967
C -1.484204 2.194478 -0.140989
C 0.105257 -3.004197 -2.024403
C 0.890712 2.393862 -0.799503
C 1.688871 1.590401 0.203102
C 1.815071 2.036159 1.543560
C 2.319639 0.380533 -0.188173
C 2.566771 1.288184 2.477657
C 3.068956 -0.368324 0.746260
C 3.197580 0.086138 2.080555
H -0.725342 -0.257045 0.947883
H -1.837726 -1.574515 1.376343
H -3.779214 -0.337577 0.422748
H -2.945995 0.643307 1.656470
H -2.337589 -1.891188 -1.129671
H -1.039555 -0.705639 -1.466277
H -2.743031 1.005283 -1.402646
H 0.546576 -2.165859 -0.095263
H -3.808334 2.973940 0.556135
H -4.817989 1.911937 -0.326905
H -1.600390 -4.225351 -0.312136
H -0.134288 -4.348432 0.527217
H 0.754594 3.439391 -0.475396
H 1.327869 2.352197 -1.809184
H 1.310218 2.958937 1.850842
H 2.208659 0.014149 -1.216173
H 1.326460 -2.433696 -3.466984
H 2.659968 1.641066 3.510714
H 3.556852 -1.298424 0.433332
H 3.783838 -0.491792 2.804014


