%chk=000280040.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280040

0 1
O 2.691292 0.987022 -0.483262
O 0.076348 1.672027 -1.497542
N -1.369488 -0.060251 0.486100
N -4.154635 -0.171676 -0.299674
C 0.028034 0.432580 0.650242
C 0.381292 1.750767 -0.104677
C 1.888981 2.095226 0.067239
C -2.374359 0.887986 1.071601
C -1.757786 -0.377213 -0.926334
C 1.031946 -0.645856 0.308889
C -3.747730 0.184388 1.100269
C -3.129672 -1.080922 -0.913317
C 2.300348 -0.303120 -0.199422
C 2.289688 2.284289 1.524947
C 2.317421 3.258040 -0.817759
C 0.763564 -2.002429 0.534539
C 3.269812 -1.273039 -0.506446
C -5.496284 -0.827993 -0.298063
C 1.716396 -2.979784 0.236319
C 2.963217 -2.614276 -0.286826
H 0.144034 0.645251 1.755168
H -0.262285 2.593234 0.232472
H -2.456804 1.836358 0.495197
H -2.072459 1.145235 2.107337
H -0.994913 -1.051340 -1.367111
H -1.806590 0.534621 -1.568000
H -3.701497 -0.696908 1.776160
H -4.506896 0.881868 1.513219
H -3.439830 -1.290975 -1.959077
H -3.047196 -2.056799 -0.388304
H 3.354669 2.546752 1.601668
H 1.718364 3.081805 2.009854
H 2.162408 1.364890 2.110936
H 2.141172 4.225715 -0.338504
H 3.387801 3.187339 -1.059479
H 1.772378 3.254740 -1.775110
H -0.208740 -2.291113 0.944021
H 0.651770 0.994660 -1.930132
H 4.232454 -0.961480 -0.903497
H -5.556173 -1.766591 0.271805
H -5.792741 -1.034753 -1.339139
H -6.238519 -0.124359 0.111577
H 1.489249 -4.028137 0.412674
H 3.701162 -3.381577 -0.519257


%chk=000280040-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280040

0 1
O 2.741869 1.001503 -0.571139
O 0.207586 1.725140 -1.668625
N -1.385800 0.059220 0.348766
N -4.189982 -0.273673 -0.231240
C 0.013387 0.500149 0.528655
C 0.443461 1.807235 -0.220327
C 1.944896 2.127032 0.053658
C -2.395608 0.934045 0.982526
C -1.832314 -0.369772 -1.001344
C 1.022716 -0.616434 0.237604
C -3.734857 0.182899 1.102095
C -3.163042 -1.131488 -0.871557
C 2.321185 -0.314389 -0.258736
C 2.293739 2.208714 1.553250
C 2.411282 3.379108 -0.697775
C 0.708576 -1.973121 0.495360
C 3.266209 -1.337006 -0.506367
C -5.515399 -0.917367 -0.184052
C 1.642953 -3.002315 0.257333
C 2.925617 -2.680150 -0.251225
H 0.087889 0.744832 1.611285
H -0.183939 2.653009 0.110108
H -2.570518 1.869728 0.397631
H -2.044426 1.217263 1.994055
H -1.066231 -1.033624 -1.439153
H -1.969422 0.495794 -1.682708
H -3.598774 -0.678421 1.807087
H -4.502192 0.858099 1.526880
H -3.522628 -1.417072 -1.878324
H -2.990612 -2.070995 -0.283626
H 3.334155 2.556333 1.674903
H 1.627896 2.926243 2.068306
H 2.205945 1.229728 2.054534
H 1.999865 4.285079 -0.217228
H 3.512927 3.439282 -0.674822
H 2.072277 3.356363 -1.745787
H -0.294529 -2.193652 0.877562
H 0.874007 1.095763 -2.051093
H 4.252349 -1.057419 -0.890398
H -5.534145 -1.852747 0.432729
H -5.837800 -1.178528 -1.208220
H -6.256574 -0.214927 0.238726
H 1.377220 -4.044578 0.463816
H 3.659989 -3.470680 -0.441827


