%chk=000279963.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279963

0 1
S -0.433281 -1.377968 1.869762
P -1.353547 -0.698958 0.329149
O -0.287805 -0.022386 -0.785256
O 2.328979 -0.723731 1.911771
N -2.091880 -1.908961 -0.704196
N -2.618174 0.494913 0.635139
N 2.318508 -1.445321 -0.225919
C 1.668865 0.989794 0.348309
C 0.404173 1.157747 -0.476368
C 2.889417 1.533256 -0.419751
C 1.490201 1.760574 1.669621
C 2.044590 -0.471798 0.749425
C -0.075640 2.277246 -1.066919
C -1.327259 2.237564 -1.889053
C 0.552984 3.627752 -0.956411
C -2.564046 -1.353670 -2.006613
C -1.217846 -3.101092 -0.891981
C -2.176121 1.519371 1.627314
C -3.875509 -0.173130 1.092462
C 2.579773 -2.826243 0.257169
C 1.892733 -1.381462 -1.637678
H 3.823893 1.288605 0.102683
H 2.849871 2.626686 -0.515861
H 2.955487 1.109579 -1.428707
H 0.749527 1.267522 2.317873
H 1.193598 2.798546 1.515176
H 2.422965 1.749273 2.252687
H -1.415927 3.096244 -2.563549
H -1.375415 1.327852 -2.504567
H -2.221939 2.232117 -1.243751
H 0.773007 4.042343 -1.950835
H -0.125881 4.331395 -0.453617
H 1.501728 3.626860 -0.395060
H -3.220497 -0.478552 -1.844593
H -3.179358 -2.121157 -2.510469
H -1.761075 -1.058130 -2.703943
H -0.990659 -3.568659 0.087720
H -0.258277 -2.900330 -1.416347
H -1.769066 -3.859175 -1.475421
H -2.990359 2.253710 1.762699
H -1.309474 2.085881 1.239489
H -1.917499 1.132052 2.630953
H -4.673884 0.589066 1.145024
H -3.818512 -0.656392 2.084426
H -4.213860 -0.930894 0.361475
H 1.682560 -3.461594 0.202335
H 2.894271 -2.796460 1.321876
H 3.392084 -3.278901 -0.329207
H 2.667122 -1.838562 -2.275868
H 1.751555 -0.339106 -1.971017
H 0.934498 -1.916917 -1.808884


%chk=000279963-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279963

0 1
S -1.145210 -0.968264 2.707446
P -1.598517 -0.614483 0.710058
O -0.344709 0.080579 -0.377923
O 2.482378 -1.250065 1.496041
N -1.969445 -2.028157 -0.218434
N -3.011837 0.428287 0.413793
N 2.307374 -1.301813 -0.809281
C 1.857362 0.895441 0.454917
C 0.520754 1.216512 -0.256741
C 3.121954 1.588161 -0.158105
C 1.747595 1.320036 1.948821
C 2.188549 -0.645365 0.417958
C 0.135582 2.383514 -0.869759
C -1.142445 2.478509 -1.687228
C 0.944627 3.675188 -0.843484
C -2.253216 -1.899820 -1.661488
C -1.495798 -3.350415 0.224391
C -2.912159 1.752011 1.090739
C -4.330028 -0.219211 0.660853
C 2.731459 -2.713618 -0.804033
C 1.931368 -0.791897 -2.133261
H 4.022236 1.104922 0.262629
H 3.171292 2.654394 0.111142
H 3.172365 1.503834 -1.257022
H 0.951701 0.757341 2.462341
H 1.526308 2.402076 2.011011
H 2.693668 1.110727 2.475502
H -0.891797 2.751417 -2.733090
H -1.710438 1.536715 -1.688999
H -1.802973 3.281947 -1.306021
H 1.700662 3.714554 -1.651811
H 0.264795 4.532861 -0.999113
H 1.466579 3.835724 0.113229
H -2.641919 -0.892682 -1.882838
H -3.017466 -2.648081 -1.947455
H -1.343750 -2.070518 -2.274089
H -1.282901 -3.325870 1.306316
H -0.571326 -3.655673 -0.309584
H -2.283164 -4.103684 0.031300
H -3.672478 2.423871 0.654407
H -1.917230 2.193995 0.925323
H -3.082173 1.672878 2.186100
H -5.113383 0.435980 0.238347
H -4.532929 -0.368504 1.744036
H -4.370716 -1.196232 0.155962
H 1.904599 -3.373873 -1.137266
H 3.019355 -2.986424 0.221889
H 3.590923 -2.857683 -1.486884
H 2.792824 -0.861193 -2.827913
H 1.592941 0.250496 -2.088035
H 1.098356 -1.392047 -2.551996


