%chk=000232784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232784

0 1
O -5.368234 0.396086 0.969213
O 2.854176 1.169433 -1.140998
N 0.117326 -0.571547 1.192138
C -4.045647 -0.143588 -1.583707
C -3.313553 -0.090950 -0.260666
C -1.934131 -0.298654 -0.168816
C -4.010142 0.168809 0.935487
C -3.936609 -1.536345 -2.213797
C -3.537811 0.945718 -2.535190
C -1.272025 -0.258000 1.069760
C -1.998507 -0.004746 2.266093
C -3.374637 0.216213 2.184437
C -1.304616 0.045523 3.584662
C 2.418054 -0.410321 0.527790
C 0.996045 -0.047090 0.393533
C 3.388113 0.238203 -0.284507
C 2.865416 -1.381302 1.432560
C 4.750262 -0.072519 -0.192443
C 4.224586 -1.700345 1.532450
C 5.156936 -1.047872 0.724238
C 3.761898 1.916699 -2.016400
C 2.824678 2.834080 -2.775780
H -5.140291 0.058026 -1.386531
H -1.367315 -0.512458 -1.075521
H -2.902289 -1.780485 -2.482366
H -4.538176 -1.612030 -3.125201
H -4.277039 -2.313803 -1.519297
H -3.592124 1.936493 -2.069138
H -4.125921 0.975157 -3.458235
H -2.492349 0.780230 -2.818818
H -3.969948 0.420590 3.072358
H -1.997055 0.044398 4.434269
H -0.625318 -0.816054 3.704529
H -0.676388 0.945431 3.663812
H 0.787633 0.683492 -0.410289
H -5.764089 0.341040 0.050240
H 2.133236 -1.892427 2.066398
H 5.488659 0.423107 -0.811923
H 4.550199 -2.457654 2.241427
H 6.215373 -1.297591 0.803930
H 4.480508 2.465567 -1.383928
H 4.283033 1.196970 -2.670427
H 3.374502 3.482531 -3.467621
H 2.088008 2.262531 -3.357286
H 2.252873 3.476054 -2.090241


%chk=000232784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232784

0 1
O -5.496145 0.213325 1.014015
O 2.790118 1.123212 -1.293845
N 0.101489 -0.486873 1.359648
C -3.962373 0.036756 -1.595406
C -3.325261 -0.010181 -0.200980
C -1.929546 -0.174099 -0.056987
C -4.093810 0.062010 0.995642
C -3.871279 -1.344521 -2.299555
C -3.352353 1.156548 -2.478839
C -1.292247 -0.268111 1.210065
C -2.091173 -0.219122 2.400864
C -3.480804 -0.044477 2.266111
C -1.442295 -0.325856 3.765064
C 2.404768 -0.303190 0.603859
C 0.970167 0.004026 0.503963
C 3.336773 0.275138 -0.317327
C 2.903634 -1.172948 1.610587
C 4.719890 -0.013924 -0.218462
C 4.277375 -1.463253 1.713765
C 5.183557 -0.880558 0.795917
C 3.706603 1.763650 -2.258455
C 2.845092 2.618334 -3.184163
H -5.046488 0.275717 -1.502488
H -1.314071 -0.273662 -0.959495
H -2.814661 -1.629353 -2.454756
H -4.366744 -1.316207 -3.288022
H -4.345290 -2.136018 -1.692066
H -3.442009 2.143467 -1.991137
H -3.863291 1.200969 -3.458563
H -2.279408 0.970074 -2.667610
H -4.122696 0.007466 3.151277
H -2.198644 -0.452175 4.558474
H -0.736935 -1.175031 3.790602
H -0.846430 0.577015 3.996638
H 0.677952 0.688081 -0.314110
H -5.849000 0.294409 0.092519
H 2.172166 -1.604723 2.301288
H 5.436563 0.425602 -0.917733
H 4.642719 -2.135003 2.497389
H 6.255081 -1.099411 0.865632
H 4.444405 2.382733 -1.708211
H 4.251873 0.980861 -2.824649
H 3.481759 3.126150 -3.931266
H 2.109344 1.993763 -3.718938
H 2.298925 3.385989 -2.610058


