%chk=000248716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248716

0 1
S 1.802994 -0.427732 0.302761
O 0.936473 -3.023236 -0.195455
O -0.745277 1.360467 -0.036425
N -2.225704 -0.396391 -0.285617
N -2.490371 -1.700204 -0.437983
C 0.162821 -0.851963 -0.073317
C -0.864490 0.157313 -0.102883
C -0.121217 -2.187146 -0.246489
C -3.408544 0.465028 -0.258576
C 2.130136 1.031039 -0.748229
C 3.503655 1.462456 -0.359325
C -1.503560 -2.582765 -0.437693
C -3.366941 1.701660 -0.922301
C -4.561107 0.048558 0.428110
C 4.622300 0.989242 -1.064724
C 3.686306 2.347786 0.716261
C 0.710540 -4.461920 -0.430763
C -4.495285 2.524271 -0.890235
C -5.680465 0.883840 0.441343
C 5.906185 1.402627 -0.700014
C 4.972609 2.756299 1.075832
C -5.650785 2.118939 -0.214287
C 6.084412 2.286714 0.368654
C 2.109170 -5.029651 -0.323109
H 1.364706 1.816425 -0.554886
H 2.047931 0.765091 -1.817060
H -1.786769 -3.628472 -0.584697
H -2.459985 2.028980 -1.435177
H -4.587191 -0.914259 0.938115
H 4.490593 0.295643 -1.892943
H 2.823034 2.710903 1.273672
H 0.031022 -4.836142 0.353209
H 0.270047 -4.584748 -1.434195
H -4.469879 3.489223 -1.396363
H -6.580031 0.568963 0.969362
H 6.770003 1.033440 -1.249729
H 5.108958 3.441807 1.910552
H -6.526015 2.766011 -0.196344
H 7.084724 2.607332 0.650365
H 2.116077 -6.114885 -0.477344
H 2.785055 -4.574119 -1.062807
H 2.551963 -4.821423 0.662932


%chk=000248716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248716

0 1
S 1.954354 -0.545135 0.249347
O 0.876265 -3.253499 -0.152821
O -0.625382 1.299376 0.245602
N -2.178901 -0.418697 -0.249397
N -2.514876 -1.748836 -0.389475
C 0.210741 -0.958994 -0.041744
C -0.831308 0.069071 0.001417
C -0.141577 -2.309622 -0.183091
C -3.327981 0.475900 -0.261691
C 2.188270 1.144495 -0.672829
C 3.571049 1.652626 -0.358481
C -1.527528 -2.649386 -0.347595
C -3.223273 1.800891 -0.751173
C -4.575872 -0.021851 0.187877
C 4.668937 1.348073 -1.205019
C 3.797554 2.445075 0.797946
C 0.533524 -4.688659 -0.332189
C -4.373055 2.619726 -0.782165
C -5.715010 0.808222 0.153598
C 5.963056 1.831634 -0.909437
C 5.090244 2.928764 1.095893
C -5.620716 2.133769 -0.330150
C 6.177200 2.623766 0.242468
C 1.852246 -5.453155 -0.285940
H 1.381409 1.794812 -0.306968
H 2.053076 0.925648 -1.743641
H -1.860537 -3.682499 -0.468975
H -2.261355 2.190836 -1.083993
H -4.641619 -1.051805 0.546020
H 4.505447 0.731382 -2.097320
H 2.955150 2.678436 1.459690
H -0.146723 -5.003895 0.484051
H 0.021037 -4.822158 -1.306010
H -4.287581 3.643787 -1.161548
H -6.675572 0.418444 0.507942
H 6.800953 1.592477 -1.574029
H 5.250572 3.542840 1.989229
H -6.506144 2.778398 -0.352641
H 7.180241 3.000398 0.472786
H 1.665144 -6.535154 -0.410364
H 2.525441 -5.117302 -1.092329
H 2.361201 -5.293200 0.679348


