%chk=000259478.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259478

0 1
S 4.540122 -0.052312 1.137424
O 2.612033 -2.303446 -0.547908
N -1.655481 0.101950 0.711558
N 1.116999 -0.672395 -0.051700
C -0.677304 1.043778 0.074523
C -1.059081 -1.237243 0.994361
C 0.781019 0.694166 0.422453
C -0.002277 -1.654601 -0.040926
C -2.986596 0.148624 0.191067
C 2.415973 -1.124588 -0.292055
C -3.478354 1.331402 -0.407897
C -3.875056 -0.934524 0.384617
C 3.493066 -0.115809 -0.240741
C -4.816969 1.415537 -0.792027
C -5.208012 -0.830351 -0.005757
C 3.883224 0.788134 -1.185942
C -5.689300 0.341123 -0.599005
C 5.035717 1.557384 -0.780220
C 5.500850 1.222963 0.456750
H -0.905933 2.063913 0.463375
H -0.798491 1.070613 -1.033145
H -1.846430 -2.023795 1.063606
H -0.603511 -1.170472 2.011117
H 1.460476 1.437417 -0.052884
H 0.942816 0.760796 1.524172
H 0.397772 -2.672868 0.184805
H -0.442207 -1.706299 -1.062955
H -2.836183 2.192924 -0.560675
H -3.522968 -1.855425 0.849205
H -5.184309 2.334430 -1.249333
H -5.881039 -1.673005 0.152823
H 3.405585 0.928895 -2.146953
H -6.728848 0.415248 -0.903565
H 5.466291 2.315222 -1.421574
H 6.338905 1.639113 0.990306


%chk=000259478-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259478

0 1
S 5.215164 -0.325346 0.381360
O 2.885910 -2.340399 -0.225376
N -1.591726 -0.210587 0.226150
N 1.214364 -0.820265 0.294669
C -0.584476 0.867286 0.137164
C -1.144789 -1.504951 0.770827
C 0.706334 0.444092 0.859201
C 0.227684 -1.929729 0.209681
C -2.943114 0.068412 -0.045063
C 2.533904 -1.130395 -0.020848
C -3.310003 1.280503 -0.711684
C -3.993275 -0.828269 0.327350
C 3.517453 -0.017931 -0.157917
C -4.659671 1.567058 -0.999377
C -5.337427 -0.529038 0.025768
C 3.421592 1.213971 -0.803006
C -5.689442 0.667672 -0.640205
C 4.662431 1.942441 -0.857784
C 5.715342 1.267424 -0.256870
H -0.975901 1.791156 0.612126
H -0.350479 1.111065 -0.922474
H -1.862075 -2.288712 0.475386
H -1.118257 -1.495754 1.883092
H 1.469042 1.229210 0.769574
H 0.497443 0.312524 1.941147
H 0.609091 -2.808724 0.762283
H 0.132379 -2.233672 -0.849782
H -2.541062 1.991730 -1.028011
H -3.773266 -1.748694 0.876715
H -4.905263 2.501538 -1.517690
H -6.118300 -1.236972 0.327805
H 2.497923 1.572267 -1.265724
H -6.735904 0.894241 -0.867963
H 4.769138 2.922098 -1.329303
H 6.751734 1.581248 -0.144322


