%chk=000290618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290618

0 1
S 1.505128 -1.866076 0.204713
O -0.432695 -0.551956 1.428948
O 2.616194 -2.595791 -0.378625
O 0.567417 -2.628186 1.023174
N 2.142440 -0.632152 1.214278
C -1.267618 -0.119493 0.341121
C -0.492907 -0.315527 -0.975169
C 0.700468 -1.036864 -1.082772
C -2.564154 -0.918233 0.401262
C -1.458966 1.380294 0.570213
C -1.042560 0.291242 -2.116569
C -0.408332 0.200304 -3.361634
C 1.332464 -1.127855 -2.338434
C 0.794120 -0.522623 -3.467133
C -3.368537 -0.780358 1.546379
C -2.674255 2.012324 0.272837
C -2.946998 -1.811674 -0.605203
C -0.386545 2.134541 1.067352
C -1.009479 0.848660 -4.562405
C -4.548012 -1.515007 1.671174
C -2.814344 3.387916 0.477045
C -4.131642 -2.546320 -0.477771
C -0.531973 3.509190 1.272387
C -4.933503 -2.398830 0.656296
C -1.745434 4.138185 0.977281
C 3.409921 -0.004232 1.126097
C 3.639734 1.129167 1.941254
C 4.421555 -0.462723 0.260294
C 4.864809 1.790343 1.870613
C 5.637083 0.218256 0.206950
C 5.866635 1.346238 1.001940
H -1.974442 0.852689 -2.032390
H 2.271722 -1.694652 -2.434056
H 1.301689 -0.606321 -4.426393
H -0.681282 -1.491665 1.738340
H -3.062806 -0.095270 2.340188
H -3.517019 1.437140 -0.111368
H -2.327358 -1.954981 -1.491215
H 0.560515 1.643402 1.296670
H 1.523783 -0.268008 1.963843
H -1.506667 1.799047 -4.319062
H -1.769943 0.196107 -5.019592
H -0.266230 1.069053 -5.341564
H -5.166201 -1.403799 2.560892
H -3.760567 3.875077 0.247562
H -4.422108 -3.241363 -1.264403
H 0.303493 4.089934 1.660681
H -5.852984 -2.974009 0.754692
H -1.857761 5.209105 1.136674
H 2.873067 1.482022 2.624367
H 4.282862 -1.364268 -0.345402
H 5.040877 2.662124 2.500237
H 6.419656 -0.140504 -0.462128
H 6.817292 1.867878 0.950236


%chk=000290618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290618

0 1
S 1.439307 -2.091510 0.440342
O -0.482724 -0.321571 1.689632
O 2.579161 -2.997427 -0.272917
O 0.268439 -2.853234 1.304090
N 2.364205 -0.910617 1.714799
C -1.289925 0.030401 0.496633
C -0.428261 -0.121093 -0.793664
C 0.683247 -0.986929 -0.953071
C -2.525366 -0.899430 0.465774
C -1.681498 1.513612 0.697034
C -0.790247 0.619158 -1.949936
C -0.103794 0.524014 -3.185369
C 1.401518 -1.109868 -2.156906
C 1.004737 -0.352320 -3.275590
C -3.364360 -0.914855 1.612771
C -2.913485 2.026627 0.222636
C -2.828869 -1.758553 -0.615746
C -0.774546 2.395789 1.334358
C -0.562758 1.333020 -4.384003
C -4.484096 -1.768166 1.671359
C -3.231851 3.395208 0.378507
C -3.954209 -2.613324 -0.558183
C -1.091777 3.761725 1.494323
C -4.785432 -2.621328 0.582488
C -2.320885 4.269537 1.012388
C 3.504173 -0.255530 1.176438
C 3.507966 1.147601 0.921051
C 4.683876 -1.017958 0.940588
C 4.688095 1.782272 0.483442
C 5.846585 -0.378137 0.467977
C 5.858235 1.021313 0.246548
H -1.639152 1.306100 -1.873643
H 2.253353 -1.796923 -2.202563
H 1.562225 -0.442443 -4.214415
H -0.522259 -1.325678 1.816102
H -3.126313 -0.258383 2.456678
H -3.636726 1.352552 -0.249936
H -2.188716 -1.774981 -1.503320
H 0.162245 1.999467 1.736425
H 1.575652 -0.274822 1.968021
H -0.935344 2.327536 -4.082664
H -1.389497 0.819935 -4.912416
H 0.253745 1.477293 -5.111886
H -5.119139 -1.771868 2.564176
H -4.192689 3.773581 0.011874
H -4.172450 -3.278468 -1.400985
H -0.384367 4.428619 2.000148
H -5.653830 -3.287934 0.627963
H -2.568365 5.329495 1.138250
H 2.592723 1.731660 1.080877
H 4.667587 -2.092491 1.141643
H 4.692692 2.864473 0.312879
H 6.751580 -0.968010 0.286560
H 6.771189 1.514363 -0.104859


