%chk=000113079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000113079

1 1
S 4.572804 0.251423 0.191295
S -0.952677 2.994918 -1.131756
O 5.738994 0.073791 1.368131
O 3.999162 1.575926 0.367626
O 5.161358 -0.089551 -1.064043
N 0.342667 1.326575 0.352504
C 1.985480 -0.552380 0.339827
C 1.409552 0.637639 1.129398
C 3.399448 -0.929495 0.797608
C -0.974197 0.750491 0.203164
C 0.496421 2.504491 -0.287433
C -1.819599 1.571301 -0.611836
C 3.798283 -2.313575 0.301504
C -1.439231 -0.425788 0.752099
C -2.783602 -0.815267 0.483017
C -3.115366 1.217709 -0.886249
C -3.621394 0.003026 -0.337635
C 1.677346 3.354535 -0.307896
C -3.318420 -2.029078 1.029008
C -4.969650 -0.414946 -0.593180
C -4.611325 -2.398144 0.765803
C -5.448263 -1.580804 -0.056864
H 1.967006 -0.352708 -0.754175
H 1.320274 -1.437502 0.461495
H 2.216196 1.385526 1.381778
H 0.987983 0.303614 2.107123
H 3.431725 -0.950445 1.923502
H 3.859448 -2.377130 -0.797131
H 4.779342 -2.628019 0.694453
H 3.084231 -3.085071 0.625295
H -0.818277 -1.059997 1.384882
H -3.765328 1.840006 -1.508318
H 2.652233 2.792155 -0.355033
H 1.713650 4.060983 -1.158320
H 1.776312 3.975377 0.608050
H -2.678759 -2.650318 1.657666
H -5.604384 0.213760 -1.221521
H 6.635127 0.411281 1.182437
H -5.027304 -3.321535 1.178729
H -6.474765 -1.907173 -0.245905


%chk=000113079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113079

1 1
S 4.777747 0.236070 0.278221
S -0.927072 3.083670 -1.031504
O 4.442775 1.074599 1.923961
O 4.293371 1.264204 -0.884059
O 6.274065 -0.357579 0.250179
N 0.373141 1.262761 0.332670
C 2.062420 -0.574622 0.051706
C 1.480192 0.511848 0.993519
C 3.370079 -1.184121 0.562875
C -0.946359 0.721887 0.236091
C 0.554175 2.467031 -0.260663
C -1.824523 1.591524 -0.491373
C 3.865293 -2.425753 -0.170131
C -1.412992 -0.482726 0.766095
C -2.781226 -0.841947 0.566944
C -3.159426 1.275895 -0.708266
C -3.665360 0.044051 -0.181640
C 1.826318 3.241422 -0.282423
C -3.312101 -2.068329 1.092870
C -5.035191 -0.336082 -0.372729
C -4.648745 -2.406925 0.889100
C -5.516289 -1.535656 0.150603
H 2.233243 -0.146108 -0.954351
H 1.341411 -1.404818 -0.074751
H 2.260990 1.227088 1.296461
H 1.076445 0.065987 1.918926
H 3.435807 -1.269370 1.660869
H 3.813962 -2.310934 -1.266345
H 4.902426 -2.677047 0.109194
H 3.226993 -3.282550 0.117234
H -0.762813 -1.154429 1.335807
H -3.826256 1.942519 -1.263711
H 2.682241 2.624590 -0.625374
H 1.739412 4.116375 -0.944457
H 2.076684 3.611754 0.731351
H -2.654193 -2.736718 1.659679
H -5.699962 0.328496 -0.934926
H 5.254472 1.591785 2.196832
H -5.046010 -3.343051 1.293588
H -6.562642 -1.819188 0.001028


