%chk=000279340.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279340

0 1
S -0.874430 2.526987 -0.567827
O -1.277765 2.368824 -1.939831
O 0.190716 3.437868 -0.232634
O 5.037175 -2.347322 0.031290
O 5.825202 -0.334703 0.055770
N -0.395477 0.933479 -0.001725
N 4.898866 -1.131893 0.033072
C -1.495821 -0.000518 0.181242
C 0.925224 0.420788 -0.018660
C -1.764914 -0.538925 1.457965
C -2.302330 -0.316112 -0.923830
C -3.405021 -1.163560 -0.768371
C -2.874327 -1.391071 1.591857
C -2.261441 2.863731 0.421947
C -3.685309 -1.698358 0.501768
C 1.148692 -0.980800 -0.035145
C 2.033859 1.300016 0.006943
C -0.897548 -0.248537 2.635812
C -4.262643 -1.512001 -1.938648
C 2.440154 -1.483324 -0.020939
C 3.324215 0.792808 0.019526
C 3.535173 -0.599457 0.011167
H -2.063917 0.098496 -1.910694
H -3.101299 -1.822467 2.567664
H -2.172051 2.517459 1.464506
H -3.193565 2.410717 0.043156
H -2.472022 3.943722 0.499877
H -4.538281 -2.363213 0.632943
H 0.306051 -1.672330 -0.074919
H 1.897592 2.391697 0.026059
H 0.031097 -0.842795 2.588843
H -0.587479 0.804667 2.681448
H -1.383924 -0.487061 3.590406
H -4.174889 -0.784655 -2.758646
H -5.327078 -1.569531 -1.673655
H -3.978386 -2.492259 -2.352648
H 2.622157 -2.564415 -0.037852
H 4.188642 1.468047 0.040062


%chk=000279340-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279340

0 1
S -0.908630 2.536561 -0.464482
O -1.967131 2.198073 -1.671119
O 0.389979 3.488394 -0.771673
O 5.085548 -2.282868 -1.175785
O 5.857082 -0.166469 -0.795439
N -0.322544 0.639776 0.672055
N 4.908332 -1.045108 -0.838961
C -1.477401 -0.185849 0.559694
C 0.934341 0.211079 0.209671
C -2.252011 -0.402054 1.749012
C -1.916546 -0.703040 -0.695141
C -3.108678 -1.451112 -0.807116
C -3.433792 -1.167353 1.623628
C -1.912610 3.371364 0.926735
C -3.859486 -1.678449 0.376071
C 1.194671 -1.146532 -0.180144
C 2.028110 1.139109 0.248767
C -1.789491 0.111303 3.096998
C -3.569915 -1.987324 -2.149712
C 2.492963 -1.557791 -0.510164
C 3.320016 0.734655 -0.107827
C 3.544135 -0.611848 -0.483786
H -1.333719 -0.475016 -1.593854
H -4.034478 -1.362343 2.519680
H -1.203783 3.563240 1.742515
H -2.702125 2.661811 1.207518
H -2.316530 4.295094 0.489230
H -4.793068 -2.250930 0.318139
H 0.379897 -1.874916 -0.178783
H 1.843558 2.171144 0.553710
H -0.972685 -0.517501 3.499804
H -1.379372 1.132968 3.023831
H -2.614097 0.100860 3.830093
H -3.269094 -1.316404 -2.972655
H -4.667708 -2.097939 -2.184777
H -3.131172 -2.982598 -2.355502
H 2.712112 -2.591108 -0.791694
H 4.160218 1.433120 -0.091236


