%chk=000250638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250638

0 1
O -3.899324 -0.667264 -0.397271
O -2.919044 2.262155 -2.266068
O -1.599709 0.751739 1.922980
O -5.837777 0.022603 0.554720
O 4.168481 0.007569 -0.699633
O 7.441564 -1.051068 -0.028132
O 6.506256 -0.294110 -1.835087
N -2.588459 1.592512 -0.052422
N -0.370428 1.036759 -0.103311
N 0.805969 0.592069 0.349016
N 6.493405 -0.620117 -0.663867
C -0.703661 1.515501 -1.482334
C -2.196250 1.842685 -1.406989
C -3.985408 1.583936 0.399943
C -1.531004 1.058472 0.769044
C -4.702995 0.251905 0.216789
C -4.439736 -2.017377 -0.605695
C -4.287378 -2.813568 0.685774
C 1.868788 0.537433 -0.413468
C -4.592231 -4.288224 0.453163
C 3.089654 0.041418 0.196485
C 3.471078 -0.411729 1.446168
C 5.239984 -0.491462 0.062250
C 4.855689 -0.755196 1.361414
H -0.111616 2.416741 -1.760044
H -0.510354 0.734913 -2.252937
H -4.030127 1.859425 1.487325
H -4.556031 2.371817 -0.161616
H -5.488180 -1.935384 -0.940794
H -3.791090 -2.375489 -1.424562
H -4.964455 -2.399118 1.462960
H -3.260950 -2.687927 1.087415
H 1.959036 0.822810 -1.472692
H -3.908454 -4.740127 -0.274816
H -4.494762 -4.858929 1.385853
H -5.615880 -4.440832 0.089358
H 2.844168 -0.491256 2.319987
H 5.474432 -1.143086 2.156592


%chk=000250638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250638

0 1
O -3.918362 -0.758400 -0.388544
O -2.831651 2.166635 -2.320390
O -1.545893 0.662583 1.946098
O -5.881228 0.129012 0.521399
O 4.312450 0.153231 -0.720561
O 7.672916 -0.811678 0.066816
O 6.749849 -0.048342 -1.900653
N -2.504803 1.481450 -0.076555
N -0.297142 0.982588 -0.085636
N 0.900944 0.572916 0.424311
N 6.677995 -0.387120 -0.654674
C -0.598322 1.444437 -1.459764
C -2.103159 1.752442 -1.392462
C -3.884459 1.539207 0.387160
C -1.448764 0.991058 0.751554
C -4.681970 0.240844 0.190025
C -4.593129 -2.085756 -0.583258
C -4.487955 -2.942281 0.684940
C 1.961012 0.568993 -0.368104
C -5.094451 -4.344439 0.451905
C 3.223414 0.135344 0.178291
C 3.654930 -0.318613 1.434957
C 5.413537 -0.299329 0.013767
C 5.052892 -0.595271 1.327701
H -0.027685 2.352326 -1.730219
H -0.403463 0.659938 -2.214475
H -3.893383 1.773353 1.465690
H -4.413614 2.343221 -0.152291
H -5.647086 -1.903734 -0.860111
H -4.046267 -2.532161 -1.429740
H -5.018908 -2.435099 1.510934
H -3.425256 -3.029965 0.978400
H 1.966491 0.873478 -1.427394
H -4.570655 -4.882571 -0.360295
H -5.015011 -4.957319 1.366634
H -6.164996 -4.279469 0.182827
H 3.018483 -0.428238 2.309573
H 5.725900 -0.963073 2.097645


