%chk=000200303.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200303

0 1
O 6.115618 -1.153801 -0.372785
O 0.157832 2.529498 0.423073
O -5.578937 -1.774357 0.905328
O -6.051109 -0.526945 -0.798542
N 3.557199 0.021672 0.116195
N -5.298556 -0.927890 0.073217
C 3.875046 -0.619808 -1.202454
C 4.803962 0.610024 0.709289
C 2.491681 1.064262 -0.030299
C 4.930749 -1.713695 -0.973677
C 5.837900 -0.513306 0.889034
C 1.123663 0.363570 0.035902
C 0.000591 1.344559 0.248496
C -1.382569 0.738521 0.211520
C -1.752450 -0.238623 1.144271
C -2.291147 1.183784 -0.757724
C -3.036739 -0.784718 1.105922
C -3.575774 0.640026 -0.809104
C -3.935339 -0.343676 0.123605
H 4.246454 0.106196 -1.958075
H 2.946192 -1.072216 -1.607706
H 4.549804 1.046791 1.698852
H 5.237269 1.423241 0.087927
H 2.572306 1.659904 -0.964423
H 2.562400 1.798003 0.806283
H 4.548311 -2.523867 -0.328114
H 5.317545 -2.126381 -1.921755
H 6.829300 -0.125281 1.181464
H 5.493654 -1.274895 1.610839
H 0.944494 -0.236330 -0.879662
H 1.138881 -0.387592 0.859763
H -1.047223 -0.570238 1.908207
H -1.999758 1.964599 -1.464298
H -3.347881 -1.547889 1.828486
H -4.301069 0.973658 -1.560156


%chk=000200303-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200303

0 1
O 6.265228 -1.153251 -0.198657
O 0.149821 2.465661 -0.368379
O -5.630008 -2.014670 0.531599
O -6.409328 0.052552 -0.036858
N 3.648221 0.066015 0.190564
N -5.453125 -0.776687 0.212653
C 3.894131 -0.915946 -0.899264
C 4.905022 0.803468 0.497449
C 2.524671 0.988709 -0.107239
C 5.022875 -1.881029 -0.499998
C 6.015941 -0.186134 0.883496
C 1.163622 0.284670 0.035299
C -0.019132 1.232862 -0.139023
C -1.419594 0.672770 -0.036966
C -1.674352 -0.681981 0.308262
C -2.512487 1.544046 -0.297281
C -2.994352 -1.163761 0.394794
C -3.836602 1.079451 -0.220124
C -4.055290 -0.272684 0.126629
H 4.172299 -0.399112 -1.852815
H 2.975230 -1.502220 -1.087589
H 4.716786 1.493829 1.341385
H 5.247569 1.412018 -0.376895
H 2.608830 1.445706 -1.123202
H 2.563255 1.826074 0.612466
H 4.708899 -2.471434 0.388168
H 5.273826 -2.563087 -1.329063
H 6.974821 0.334340 1.041534
H 5.726701 -0.727734 1.810036
H 1.060036 -0.540511 -0.698101
H 1.115744 -0.193151 1.035065
H -0.845989 -1.365363 0.516348
H -2.291354 2.583695 -0.558503
H -3.217217 -2.199861 0.661896
H -4.692401 1.729547 -0.418789


