%chk=000188121.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188121

0 1
O 1.926024 0.072321 -0.813567
O -3.175480 1.295963 0.703643
O 1.921240 -0.348715 1.444903
N 0.566280 0.369995 -0.831128
N -2.273347 -1.600436 0.138806
N -0.155318 -2.051831 -0.599201
N -1.049250 1.974609 0.112695
N 1.173381 2.649121 -0.289369
C -0.322945 -0.680238 -0.469500
C -1.627803 -0.375372 -0.003745
C 0.177887 1.681317 -0.284283
C -2.073024 1.000838 0.313561
C -1.354487 -2.589485 -0.223374
C 2.521376 -0.360636 0.409718
C 3.907496 -0.749466 0.055349
H -3.224396 -1.709832 0.450344
H -1.570199 -3.650513 -0.208656
H 1.983493 2.514117 -0.880463
H 0.880279 3.613452 -0.154610
H 4.160881 -0.534014 -0.997079
H 4.641517 -0.238001 0.698688
H 4.045295 -1.837293 0.198969


%chk=000188121-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188121

0 1
O 1.959502 0.157718 -0.707206
O -3.394202 1.287457 0.436663
O 2.204674 -0.420872 1.584997
N 0.569979 0.421449 -0.415574
N -2.275883 -1.591894 0.106762
N -0.080301 -1.998239 -0.352488
N -1.185796 2.020687 -0.011441
N 1.011978 2.741391 -0.440242
C -0.321913 -0.636946 -0.266710
C -1.663146 -0.337578 0.014296
C 0.089291 1.737499 -0.273845
C -2.182093 1.023357 0.171135
C -1.301292 -2.550493 -0.117299
C 2.693088 -0.386842 0.456305
C 4.025887 -0.871232 -0.045505
H -3.266091 -1.732813 0.308895
H -1.497168 -3.619158 -0.103125
H 1.970394 2.546182 -0.716775
H 0.673833 3.694598 -0.338310
H 4.380233 -0.269184 -0.896618
H 4.760068 -0.856277 0.773811
H 3.907857 -1.912907 -0.396026


