%chk=000259901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259901

0 1
S 4.006746 0.689208 1.455627
O 5.368628 1.057373 1.134630
O 3.588137 0.470351 2.818868
O -2.332107 0.662243 0.262965
O 1.724591 1.614122 -1.486302
N 3.099584 2.094237 0.876679
N 1.717931 1.843127 0.791034
N -0.952540 0.671725 0.270248
C 3.513703 -0.632229 0.476307
C 2.418488 -1.419890 0.850810
C 4.212961 -0.930336 -0.700934
C 2.713033 -2.787942 -1.130359
C 2.016901 -2.491893 0.054350
C 3.818921 -2.000641 -1.500927
C -0.427182 1.663768 -0.383594
C -1.127273 2.770442 -1.128488
C 2.283917 -3.921217 -1.999880
C 1.084402 1.702004 -0.455969
C -4.275193 -0.482263 0.885119
C -2.787432 -0.484998 1.086068
C -1.033842 2.556006 -2.635871
C -5.129630 -0.640638 1.986010
C -4.810146 -0.338433 -0.403299
C -6.513410 -0.666378 1.792469
C -6.195068 -0.356220 -0.588695
C -7.047447 -0.523672 0.507334
H 1.874036 -1.197525 1.775741
H 5.078620 -0.324090 -0.992893
H 1.161087 -3.094986 0.350208
H 4.363333 -2.223430 -2.416742
H 3.471280 2.569823 0.028495
H -0.687765 3.751137 -0.850753
H -2.193984 2.814525 -0.813270
H 1.211191 2.150378 1.631705
H 1.793510 -3.547304 -2.913045
H 3.136109 -4.536463 -2.323896
H 1.570941 -4.595396 -1.506583
H -2.313467 -1.409342 0.708815
H -2.475987 -0.304081 2.128828
H -1.458384 3.403061 -3.185289
H -1.568817 1.651282 -2.948722
H 0.013159 2.437133 -2.959665
H -4.721416 -0.743783 2.989886
H -4.140218 -0.202934 -1.252939
H -7.177420 -0.794364 2.646244
H -6.609913 -0.240449 -1.588943
H -8.126168 -0.541246 0.361120


%chk=000259901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259901

0 1
S 2.569822 -0.818114 0.886561
O 3.180034 -1.588568 2.197848
O 1.012979 -1.129152 0.407800
O -3.143977 1.207522 0.791033
O 1.033499 1.525837 -1.400098
N 2.264049 1.491446 1.133110
N 0.926133 1.545528 0.928423
N -1.721958 1.403032 0.837500
C 3.710267 -1.248888 -0.565397
C 3.357359 -0.828207 -1.857043
C 4.873859 -1.982626 -0.279356
C 5.410293 -1.922610 -2.687395
C 4.223407 -1.178480 -2.918621
C 5.718675 -2.320026 -1.358242
C -1.167429 1.313963 -0.360418
C -1.860572 1.010530 -1.663705
C 6.343217 -2.277029 -3.831342
C 0.317282 1.458964 -0.356980
C -5.145741 0.950397 2.137645
C -3.691438 1.345322 2.189139
C -2.044648 -0.524618 -1.847385
C -6.158881 1.938763 2.065070
C -5.515311 -0.419076 2.152398
C -7.521040 1.567158 2.011045
C -6.875229 -0.793413 2.094779
C -7.880945 0.199729 2.025318
H 2.442513 -0.251171 -2.036960
H 5.090287 -2.287735 0.749820
H 3.970288 -0.866087 -3.938145
H 6.628519 -2.900636 -1.164950
H 2.705698 1.709956 0.200813
H -1.243876 1.411782 -2.486041
H -2.847861 1.505038 -1.676953
H 0.317367 1.428890 1.747223
H 7.270620 -1.674427 -3.787519
H 6.644355 -3.339421 -3.790366
H 5.872776 -2.093158 -4.812004
H -3.094383 0.682312 2.839938
H -3.551763 2.394944 2.503895
H -2.497115 -0.732253 -2.833022
H -2.708177 -0.933291 -1.066317
H -1.074646 -1.047653 -1.786877
H -5.880059 2.999479 2.050177
H -4.736074 -1.188704 2.206859
H -8.297193 2.338436 1.958749
H -7.151814 -1.853317 2.107535
H -8.936769 -0.090567 1.984960


