%chk=000279827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279827

0 1
S 0.453552 -1.245770 1.710162
O 0.154782 0.867596 -0.843705
O 4.604174 0.974381 1.143283
O -3.891953 1.650165 1.293978
O -2.358384 3.031385 2.145755
O 6.003696 -2.603584 -0.947012
O 8.019393 -1.792535 -0.399799
O -5.842878 -0.556036 -0.944258
O -4.107287 0.446336 -1.749809
N 1.856964 1.301221 0.608773
N 4.713144 -0.323565 -0.731275
N -3.472344 3.117775 -1.080621
N -4.638365 -0.424137 -1.070018
C 2.507191 0.001840 0.367845
C -1.103395 3.403741 -0.468255
C 0.078579 2.963636 0.396316
C 2.235058 -1.009686 1.484438
C -2.353610 2.519362 -0.293565
C 0.642803 1.625476 -0.015878
C 4.031068 0.272646 0.329856
C -0.052664 -1.976563 0.118112
C -1.531905 -2.129663 0.209454
C -2.809831 2.495349 1.162720
C 6.177773 -0.225974 -0.810675
C -2.366900 -1.193761 -0.419481
C -2.099339 -3.211593 0.905005
C -3.754111 -1.380721 -0.371525
C -3.487811 -3.369228 0.962245
C -4.328015 -2.459099 0.319903
C 6.868775 -1.566507 -0.672734
H 2.135219 -0.400269 -0.619671
H -1.363638 4.457383 -0.221261
H -0.810903 3.400251 -1.539139
H 0.865482 3.748382 0.354201
H -0.233419 2.933582 1.471391
H 2.741686 -1.972443 1.286970
H 2.623803 -0.650423 2.464150
H 2.239663 1.853941 1.377917
H -2.106259 1.454346 -0.596108
H 0.459310 -2.940998 -0.052273
H 0.236602 -1.292622 -0.716989
H 4.278217 -0.996155 -1.359246
H -3.229497 3.137085 -2.069621
H -4.307880 2.528733 -1.004108
H 6.564308 0.467994 -0.008496
H 6.479703 0.233311 -1.786700
H -1.938145 -0.318920 -0.939350
H -1.452249 -3.932679 1.409050
H -3.917255 -4.209138 1.510197
H -5.416156 -2.574476 0.348486
H -4.253622 1.627916 2.219442
H 6.442267 -3.495589 -0.871380


%chk=000279827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279827

0 1
S -0.425224 -1.136133 1.950415
O 0.784223 -0.030226 -1.578804
O 4.056648 0.163966 2.405052
O -1.851278 4.025071 2.147112
O 0.251806 3.212702 1.670679
O 5.886750 -0.393679 -2.059640
O 7.946641 0.084637 -1.086051
O -5.932106 -0.799046 -1.993245
O -4.082794 0.519286 -1.811729
N 1.577549 0.923499 0.397012
N 4.498917 -0.189197 0.154681
N -3.107544 2.627026 0.281511
N -4.713693 -0.598760 -1.621830
C 2.149710 -0.334879 0.893837
C -1.073284 2.590918 -1.073786
C 0.453164 2.384916 -1.235330
C 1.437405 -0.918501 2.133001
C -1.672175 2.371666 0.354139
C 0.937205 0.993289 -0.827910
C 3.646899 -0.104235 1.233463
C -0.504178 -2.340892 0.457881
C -1.956266 -2.535658 0.098791
C -0.981545 3.231895 1.407019
C 5.927974 0.081734 0.314172
C -2.634621 -1.522727 -0.619455
C -2.671867 -3.697991 0.485771
C -4.000990 -1.689063 -0.919691
C -4.038565 -3.856522 0.153013
C -4.722234 -2.849026 -0.555018
C 6.715188 -0.066584 -0.975060
H 2.073480 -1.043013 0.047462
H -1.342591 3.613087 -1.396185
H -1.609835 1.892052 -1.743273
H 0.693604 2.500584 -2.307640
H 1.003127 3.159829 -0.675692
H 1.883071 -1.895222 2.389049
H 1.566280 -0.252443 3.002668
H 1.495999 1.738344 1.023510
H -1.402921 1.328713 0.670057
H -0.020605 -3.284069 0.760665
H 0.046899 -1.860962 -0.368946
H 4.149784 -0.381281 -0.787952
H -3.607855 2.078145 -0.423318
H -3.595258 2.765596 1.166487
H 6.373172 -0.592695 1.070857
H 6.098017 1.105648 0.702839
H -2.106190 -0.623658 -0.947705
H -2.155115 -4.481718 1.051339
H -4.571554 -4.763855 0.454336
H -5.779705 -2.935814 -0.817087
H -1.333050 4.523711 2.836831
H 6.424928 -0.476769 -2.891608


