%chk=000295753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295753

0 1
S -0.914096 -4.574934 -0.785887
O 1.995086 2.122177 -0.322035
O -3.761779 1.280803 -0.597594
O -1.746628 2.091276 0.033798
N 0.280442 0.240494 0.286929
N -0.321061 -2.017322 -0.220575
N -2.607693 -2.563135 -0.870723
C 1.666837 -0.026610 0.538386
C 2.594487 1.019400 0.231042
C -0.665686 -0.669913 -0.102896
C -2.017815 -0.260381 -0.375804
C 2.149716 -1.205577 1.109101
C 3.956490 0.871532 0.489878
C 3.521806 -1.352638 1.361812
C 4.413364 -0.327621 1.054973
C 2.801449 3.331030 -0.523768
C -2.943638 -1.266344 -0.752619
C -2.432263 1.129426 -0.275400
C -1.288560 -2.875382 -0.597552
C 1.781946 4.321688 -1.046662
C -4.335664 2.625370 -0.503089
C -4.632962 2.953273 0.944540
C 0.835931 -4.689915 -0.383350
H 0.016821 1.257438 0.278774
H 1.462032 -2.017797 1.360010
H 4.663790 1.660043 0.254522
H 3.884315 -2.278157 1.804635
H 5.477759 -0.450804 1.254042
H 3.233805 3.627322 0.446902
H 3.593895 3.097144 -1.254385
H -3.991899 -0.996904 -0.965402
H 2.204586 5.328902 -1.128945
H 1.401045 4.026687 -2.034453
H 0.903305 4.373200 -0.383798
H -5.244079 2.501003 -1.120627
H -3.634472 3.341000 -0.968121
H -3.703988 3.076882 1.521954
H -5.209552 2.154578 1.429287
H -5.205424 3.883389 1.036996
H 1.186381 -5.685838 -0.683321
H 1.435577 -3.934060 -0.913422
H 1.017594 -4.556026 0.690248


%chk=000295753-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295753

0 1
S -1.180357 -4.852086 -0.006115
O 1.805835 2.214076 -0.001258
O -3.689436 1.242203 -0.752578
O -1.489197 1.966063 -0.459893
N 0.387349 0.032150 -0.092055
N -0.392181 -2.222240 -0.063258
N -2.764824 -2.739133 -0.360841
C 1.777027 -0.161947 0.108565
C 2.557215 1.041258 0.157980
C -0.639835 -0.871074 -0.179699
C -2.002326 -0.409089 -0.397162
C 2.436007 -1.405401 0.256835
C 3.952243 0.992540 0.350040
C 3.836378 -1.449659 0.449060
C 4.593747 -0.260794 0.496167
C 2.494201 3.517456 0.040828
C -3.006065 -1.407890 -0.476276
C -2.332194 1.016595 -0.529272
C -1.444681 -3.065667 -0.156396
C 1.419436 4.585431 -0.145334
C -4.119991 2.668914 -0.877262
C -4.417879 3.268839 0.499550
C 0.677330 -4.927368 0.257213
H 0.089841 1.026100 -0.187694
H 1.836410 -2.313673 0.218859
H 4.540052 1.914302 0.386497
H 4.331182 -2.420246 0.561906
H 5.678105 -0.298682 0.645249
H 3.010844 3.624958 1.016533
H 3.250963 3.555858 -0.769328
H -4.045203 -1.110628 -0.640366
H 1.878848 5.590419 -0.125149
H 0.901877 4.450796 -1.109878
H 0.666832 4.522631 0.658433
H -5.022060 2.609286 -1.506947
H -3.325754 3.230970 -1.398619
H -3.500667 3.328787 1.108995
H -5.167896 2.665064 1.038908
H -4.819997 4.292098 0.379051
H 0.913425 -5.996398 0.376353
H 1.197405 -4.512172 -0.618015
H 0.949190 -4.367949 1.163776


