%chk=000245355.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245355

0 1
O 1.582052 -1.034228 0.227218
O -1.580991 -1.036156 -0.222154
O 0.618221 0.629964 1.462549
O -0.618243 0.624378 -1.463244
N 2.507075 1.064324 0.122473
N -2.507480 1.062108 -0.124802
C 3.065208 0.847356 -1.257544
C -3.065579 0.849480 1.255908
C 2.224080 2.077038 -0.941104
C -2.225227 2.078624 0.935347
C 4.559158 0.936135 -1.385755
C -4.559596 0.937724 1.383703
C 1.454644 0.279769 0.660765
C -1.454486 0.276403 -0.660312
C 0.509977 -1.952761 0.573720
C -0.508254 -1.955140 -0.565367
H 2.610919 0.056355 -1.880887
H -2.610827 0.060897 1.881971
H 1.212497 2.167530 -1.361916
H 2.687405 3.055344 -0.780167
H -2.689170 3.056073 0.771042
H -1.213725 2.171200 1.355914
H 4.845976 1.272953 -2.390497
H 5.030323 -0.040582 -1.205416
H 5.001371 1.636095 -0.660697
H -4.846711 1.277804 2.387261
H -5.030111 -0.039913 1.206685
H -5.002211 1.634902 0.656213
H 1.044513 -2.915317 0.670026
H 0.054412 -1.660827 1.540899
H -1.042115 -2.918407 -0.658253
H -0.052900 -1.666323 -1.533581


%chk=000245355-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245355

0 1
O 1.603923 -1.235737 0.282585
O -1.602059 -1.237724 -0.276299
O 0.448574 0.408695 1.521887
O -0.446369 0.403391 -1.519688
N 2.381187 0.905243 0.261597
N -2.380643 0.902897 -0.263165
C 2.795042 1.107515 -1.156979
C -2.796512 1.109183 1.154233
C 2.192874 2.253787 -0.324893
C -2.193525 2.253203 0.319653
C 4.272756 1.031665 -1.482208
C -4.274663 1.033903 1.477625
C 1.381590 0.078883 0.741214
C -1.380154 0.075498 -0.739123
C 0.532554 -2.220071 0.558228
C -0.530066 -2.222385 -0.548334
H 2.106466 0.669848 -1.891291
H -2.108857 0.673831 1.890779
H 1.165601 2.556002 -0.559274
H 2.848771 3.036575 0.070633
H -2.849069 3.034647 -0.079107
H -1.166664 2.556383 0.554599
H 4.485159 1.563940 -2.427475
H 4.590985 -0.019767 -1.598215
H 4.877370 1.486229 -0.678327
H -4.488556 1.569130 2.420886
H -4.592745 -0.017249 1.596528
H -4.878273 1.485727 0.671447
H 1.059539 -3.188641 0.580552
H 0.069597 -2.012476 1.539712
H -1.056421 -3.191371 -0.567255
H -0.067207 -2.017951 -1.530527


