%chk=000292021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292021

0 1
S 0.771596 3.030376 1.286610
O -4.804649 0.175006 -0.432176
N 1.540229 0.542098 0.774792
C 3.881559 1.097906 -0.102044
C 2.947607 0.906050 1.120196
C 3.264155 1.999976 -1.170297
C 4.327402 -0.240596 -0.698202
C 1.330635 -0.824660 0.321400
C 0.523837 1.449304 0.827016
C -0.857644 1.041171 0.509234
C 0.832971 -1.065831 -0.970631
C 1.637176 -1.889927 1.183893
C -1.488357 0.000487 1.205880
C -1.577349 1.774203 -0.459659
C 0.645916 -2.383083 -1.393973
C 1.447790 -3.201278 0.740826
C 0.954254 -3.450565 -0.543624
C -2.816702 -0.337479 0.937108
C -2.893384 1.447538 -0.751979
C -3.504382 0.389335 -0.043703
C -5.556850 -0.860210 0.247082
H 4.795067 1.614799 0.299038
H 3.358117 0.114453 1.785498
H 2.947853 1.849216 1.723914
H 2.412983 1.524748 -1.668677
H 2.896592 2.940484 -0.734609
H 3.994595 2.258028 -1.943870
H 5.078792 -0.088583 -1.481658
H 4.769655 -0.897783 0.056941
H 3.493294 -0.783308 -1.157980
H 0.589259 -0.233478 -1.631052
H 2.014302 -1.699570 2.187428
H -0.940862 -0.552111 1.971832
H -1.093992 2.607307 -0.978035
H 0.257369 -2.577853 -2.393814
H 1.684531 -4.033327 1.403836
H 0.808403 -4.475108 -0.881790
H -3.291755 -1.141630 1.487611
H -3.466952 1.994434 -1.497356
H -6.532840 -0.790303 -0.251460
H -5.644569 -0.628742 1.312605
H -5.097651 -1.837696 0.075952


%chk=000292021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292021

0 1
S 0.773367 3.265127 0.773534
O -5.024579 0.135148 -0.198333
N 1.473662 0.608766 0.642920
C 3.970727 1.032043 0.064118
C 2.840044 0.962356 1.136099
C 3.562490 1.864790 -1.172914
C 4.533865 -0.349646 -0.352584
C 1.282449 -0.751391 0.171519
C 0.476519 1.577594 0.557117
C -0.933023 1.124671 0.347367
C 0.811960 -0.988405 -1.144426
C 1.601849 -1.848210 1.009316
C -1.489693 0.039219 1.073245
C -1.786665 1.853806 -0.528429
C 0.655149 -2.310332 -1.610832
C 1.451045 -3.168838 0.534020
C 0.976806 -3.407144 -0.777057
C -2.847733 -0.317116 0.936476
C -3.131767 1.494688 -0.697307
C -3.670235 0.405526 0.036444
C -5.637218 -0.967952 0.546625
H 4.790268 1.575744 0.582777
H 3.124316 0.227959 1.914021
H 2.735270 1.953782 1.609521
H 2.778441 1.345154 -1.754429
H 3.163145 2.850747 -0.879384
H 4.431645 2.013399 -1.840032
H 5.438035 -0.216821 -0.975926
H 4.815475 -0.957589 0.528021
H 3.802616 -0.928245 -0.943192
H 0.570447 -0.139434 -1.791248
H 1.955856 -1.671984 2.030580
H -0.866136 -0.520930 1.776641
H -1.374895 2.715630 -1.062983
H 0.289135 -2.482865 -2.628887
H 1.698817 -4.010688 1.190114
H 0.860617 -4.432577 -1.144003
H -3.246625 -1.145309 1.529405
H -3.788106 2.045136 -1.377726
H -6.682373 -0.998554 0.205807
H -5.605669 -0.782198 1.637669
H -5.141295 -1.931257 0.318440


