%chk=000291272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291272

0 1
S -2.262362 -0.451164 -0.646108
O -3.126674 0.628272 -1.090529
O -2.206880 -1.679828 -1.425411
N -2.682514 -0.939604 0.954646
N 3.192351 1.720484 0.038802
N 4.167011 -0.544297 -0.107932
N 2.846547 -2.437268 -0.382961
N 5.508902 1.353274 0.290409
C -0.660597 0.155488 -0.450483
C -3.693355 -2.028031 1.044007
C -2.781346 0.126240 1.986150
C 0.410330 -0.711060 -0.432886
C 1.731895 -0.231087 -0.284916
C -0.450089 1.560457 -0.338362
C 1.943008 1.185676 -0.137293
C -5.097921 -1.651632 0.574946
C -3.894235 1.150233 1.773294
C 0.810583 2.068524 -0.178905
C 2.917862 -1.064793 -0.268217
C 4.252834 0.840972 0.065553
H -3.308741 -2.883086 0.433126
H -3.728392 -2.383806 2.098368
H -2.911108 -0.365705 2.978471
H -1.792118 0.640235 2.030746
H 0.241682 -1.789906 -0.539378
H -1.319124 2.228726 -0.391464
H -5.499969 -0.794027 1.134421
H -5.119482 -1.374055 -0.488295
H -5.792525 -2.488930 0.700816
H -3.832186 1.634740 0.783856
H -4.888321 0.680181 1.815072
H -3.863207 1.937962 2.531420
H 0.996939 3.139903 -0.086793
H 3.699279 -2.979048 -0.433291
H 1.997171 -2.893049 -0.670274
H 6.318425 0.755618 0.242152
H 5.644126 2.351392 0.342141


%chk=000291272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291272

0 1
S -2.330938 -0.315322 -0.687098
O -3.217967 0.972574 -1.176174
O -2.299607 -1.688633 -1.569025
N -2.731768 -0.893487 1.046957
N 3.349655 1.715572 -0.055468
N 4.203389 -0.592213 -0.068733
N 2.829573 -2.445535 -0.308100
N 5.626745 1.238814 0.172389
C -0.569170 0.297842 -0.466448
C -3.702814 -2.025788 1.051780
C -2.865848 0.224664 2.020097
C 0.447310 -0.652425 -0.411078
C 1.787690 -0.201112 -0.281230
C -0.338229 1.696323 -0.426368
C 2.068425 1.219977 -0.202803
C -5.096252 -1.808472 0.414326
C -4.166741 1.063851 2.033517
C 0.977293 2.146578 -0.289955
C 2.952309 -1.080359 -0.218213
C 4.339714 0.786059 0.011754
H -3.206958 -2.869667 0.540731
H -3.800474 -2.298628 2.121678
H -2.704058 -0.242462 3.012489
H -1.998389 0.893030 1.855367
H 0.182655 -1.713455 -0.483351
H -1.182086 2.387281 -0.525159
H -5.661030 -0.992596 0.892458
H -4.998279 -1.582870 -0.661816
H -5.684732 -2.740347 0.508523
H -4.380433 1.468735 1.029814
H -5.034890 0.474941 2.375765
H -4.041303 1.911468 2.733307
H 1.215572 3.213058 -0.250672
H 3.681810 -3.001314 -0.263395
H 1.937451 -2.906080 -0.459644
H 6.388479 0.567914 0.218080
H 5.791693 2.240086 0.230595


