%chk=000284659.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284659

0 1
S -0.851981 -0.756297 0.165368
O -0.561977 -0.035153 1.392790
O -0.337317 -2.096672 -0.028479
O 2.254137 3.486592 -1.073318
O 4.876042 -2.114155 0.488309
N -0.273284 0.165615 -1.187194
C -0.519154 1.626825 -1.164129
C 1.043995 -0.242040 -1.725789
C 0.339083 2.406191 -0.162206
C 2.238853 -0.024470 -0.817184
C 2.610237 1.255289 -0.355875
C 1.786419 2.472918 -0.601308
C -2.559057 -0.728741 -0.087269
C 3.030518 -1.126831 -0.503376
C 3.793760 1.418900 0.377835
C 4.202457 -0.940408 0.259546
C 4.602907 0.328561 0.699246
C -3.127591 -1.448311 -1.143566
C -3.380859 -0.003584 0.783886
C -4.508939 -1.433838 -1.339729
C -4.761581 0.015272 0.594432
C -5.336352 -0.700130 -0.471947
C -6.814790 -0.695156 -0.668277
C 6.081720 -2.061864 1.290695
H -1.598770 1.794659 -0.941314
H -0.356411 2.027444 -2.193573
H 1.227061 0.296394 -2.688158
H 0.961258 -1.327147 -2.000591
H 0.272749 1.941963 0.854345
H -0.057348 3.435339 -0.045676
H 2.755121 -2.136646 -0.810897
H 4.087160 2.420877 0.703051
H 5.510519 0.474824 1.273507
H -2.491440 -2.030017 -1.818754
H -2.936773 0.547008 1.622949
H -4.945070 -1.996610 -2.162958
H -5.395270 0.578926 1.276616
H -7.283798 0.236691 -0.322444
H -7.102011 -0.826356 -1.720982
H -7.283352 -1.517732 -0.103967
H 6.377151 -3.119290 1.316821
H 5.853486 -1.694771 2.295565
H 6.842294 -1.453371 0.793701


%chk=000284659-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284659

0 1
S -0.976637 -0.802195 0.319614
O -0.767609 -0.011394 1.739125
O -0.444551 -2.329914 0.129724
O 2.396917 3.623520 -0.548208
O 5.149896 -2.124517 0.433092
N -0.277366 0.116238 -1.175449
C -0.500013 1.579019 -1.121854
C 1.069914 -0.377327 -1.544109
C 0.346246 2.409455 -0.121019
C 2.293341 -0.064776 -0.672910
C 2.693358 1.251550 -0.270655
C 1.851285 2.489420 -0.380235
C -2.817367 -0.719781 -0.074674
C 3.156290 -1.146899 -0.413137
C 3.967733 1.424651 0.329872
C 4.408675 -0.959631 0.224020
C 4.829458 0.343372 0.588375
C -3.315366 -1.501468 -1.129623
C -3.627383 0.082597 0.743213
C -4.703591 -1.455306 -1.380932
C -5.013655 0.110163 0.471263
C -5.569828 -0.653574 -0.588455
C -7.064876 -0.642728 -0.848750
C 6.451900 -1.996465 1.097344
H -1.571076 1.744414 -0.899537
H -0.333990 1.940034 -2.156503
H 1.237241 0.036041 -2.561174
H 0.983781 -1.471843 -1.650338
H 0.186021 1.991606 0.892845
H -0.030745 3.448110 -0.134582
H 2.873921 -2.164886 -0.700564
H 4.264548 2.442136 0.604587
H 5.794873 0.520110 1.070631
H -2.645383 -2.126595 -1.727640
H -3.184507 0.647324 1.570424
H -5.120374 -2.051671 -2.200677
H -5.670021 0.729849 1.092848
H -7.525098 0.310270 -0.535787
H -7.292866 -0.801159 -1.917005
H -7.566131 -1.451522 -0.282608
H 6.839883 -3.023019 1.163220
H 6.341836 -1.571414 2.113301
H 7.145119 -1.371097 0.502628


