%chk=000284578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284578

0 1
S -1.546149 2.994405 0.592424
O 2.412490 0.603530 1.554975
O 3.732013 2.071419 -1.031822
O 3.462811 -0.177694 -1.465795
O -0.009245 2.221987 0.431590
O -1.446748 4.138128 -0.274796
O -1.675643 3.169833 2.018766
O -3.188475 -3.287720 0.370794
N 0.876096 -1.037117 0.858547
N -1.176164 -1.401985 1.812677
N 0.625055 -2.658480 -1.080450
N -1.521125 -3.757475 -1.138262
C 2.411487 1.753675 -0.569397
C 2.256598 0.232549 -0.823669
C 2.300358 1.937004 0.956352
C 2.197539 -0.422776 0.588608
C 4.488817 0.862217 -1.306284
C 0.985609 2.589639 1.393873
C 5.168717 1.037255 -2.643084
C 5.380768 0.523135 -0.131644
C 0.210387 -1.982397 0.070151
C -0.034238 -0.715959 1.922666
C -1.062354 -2.190902 0.662881
C -2.046074 -3.086791 0.043456
C -0.333711 -3.568099 -1.625572
C -2.554931 1.788065 -0.035773
C -3.055353 0.780201 0.806038
C -2.877799 1.771528 -1.402230
C -3.832977 -0.246966 0.281709
C -3.660838 0.749103 -1.928313
C -4.133323 -0.282698 -1.091821
C -4.932985 -1.410040 -1.640271
H 1.727594 2.413365 -1.145427
H 1.430757 -0.041314 -1.505498
H 3.181381 2.468010 1.386923
H 3.008297 -1.173588 0.767258
H 1.086814 3.693740 1.417536
H 0.669027 2.226415 2.394261
H 5.631632 2.032688 -2.716959
H 5.945859 0.283408 -2.814963
H 4.444250 0.960624 -3.467965
H 4.832077 0.550924 0.821314
H 5.816945 -0.478242 -0.233690
H 6.207272 1.241190 -0.041419
H 0.237051 -0.003224 2.691471
H 1.553937 -2.528837 -1.469147
H 0.011499 -4.108009 -2.523144
H -2.827265 0.790028 1.879806
H -2.512352 2.569277 -2.058560
H -4.175033 -1.058125 0.935359
H -3.907422 0.742332 -2.988192
H -4.572059 -2.384883 -1.249433
H -5.988653 -1.336987 -1.336434
H -4.910120 -1.475463 -2.734323


%chk=000284578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284578

0 1
S -1.669373 3.206776 0.503259
O 2.095345 0.941817 1.964944
O 4.177588 1.525600 -0.247799
O 3.040265 -0.290622 -1.271392
O 0.086459 2.458174 0.340074
O -1.733498 4.482186 -0.488788
O -1.909078 3.387736 2.096378
O -2.925371 -3.610670 0.295664
N 0.788024 -0.923723 1.208491
N -1.205071 -1.669145 2.042789
N 0.880044 -2.368441 -0.838577
N -1.053492 -3.791926 -1.130562
C 2.732176 1.839473 -0.188404
C 2.103866 0.454350 -0.423148
C 2.315477 2.230777 1.235382
C 2.032946 -0.154589 1.015260
C 4.354497 0.489821 -1.288159
C 1.044489 3.091520 1.264003
C 4.508104 1.102580 -2.683766
C 5.493927 -0.426386 -0.860514
C 0.316774 -1.890799 0.333194
C -0.170780 -0.838775 2.241822
C -0.920686 -2.342555 0.836885
C -1.731303 -3.278693 0.050855
C 0.126936 -3.347084 -1.505356
C -2.635775 1.772915 -0.194884
C -2.980217 0.721562 0.671270
C -2.972694 1.811548 -1.558484
C -3.695910 -0.362826 0.125178
C -3.699972 0.715288 -2.073503
C -4.063385 -0.385301 -1.249437
C -4.826903 -1.569337 -1.805140
H 2.445664 2.591057 -0.943714
H 1.115625 0.500900 -0.902934
H 3.127695 2.756310 1.767731
H 2.899010 -0.825270 1.183646
H 1.286828 4.121327 0.931079
H 0.635652 3.118693 2.291551
H 5.444709 1.683189 -2.740122
H 4.537646 0.304973 -3.445337
H 3.662198 1.770786 -2.917966
H 5.310565 -0.817918 0.153101
H 5.587922 -1.270295 -1.564352
H 6.444715 0.133081 -0.854062
H -0.042592 -0.151626 3.072378
H 1.769004 -2.010401 -1.216586
H 0.596783 -3.750532 -2.410469
H -2.700943 0.730890 1.728038
H -2.691892 2.664841 -2.183617
H -3.934621 -1.219819 0.764397
H -3.982557 0.713036 -3.132121
H -4.373331 -2.519157 -1.468090
H -5.870959 -1.566922 -1.437215
H -4.858428 -1.558490 -2.907770


