%chk=000253453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253453

0 1
S -4.615643 0.148053 0.511544
S 4.623537 -0.151556 0.482927
P -2.749418 -0.310831 0.287606
P 2.755490 0.306393 0.272594
N -2.401388 -2.026066 0.041610
N -1.999355 0.421155 -1.125832
N 1.998682 -0.417042 -1.141600
N 2.403551 2.022701 0.039894
N -1.836899 0.154592 1.704793
N 1.851754 -0.169924 1.691783
C -3.528608 -2.981739 -0.192913
C -2.572115 -2.641042 -1.313395
C -2.293008 1.847779 -1.468579
C -0.905491 1.436613 -1.031932
C 2.289169 -1.842004 -1.493745
C 0.904038 -1.431724 -1.048717
C 2.570699 2.647630 -1.310996
C 3.528531 2.982199 -0.189819
C -0.553106 -0.543828 1.982361
C 0.569775 0.526216 1.983010
H -4.577145 -2.655154 -0.227436
H -3.435302 -3.932113 0.346244
H -1.779585 -3.343304 -1.597052
H -2.903901 -2.057337 -2.179511
H -2.513799 2.021378 -2.529272
H -2.921400 2.484990 -0.835826
H -0.100886 1.307142 -1.769327
H -0.492190 1.768341 -0.064212
H 2.505120 -2.009814 -2.556373
H 2.919467 -2.483606 -0.867381
H 0.494714 -1.768656 -0.081085
H 0.096285 -1.297044 -1.781701
H 2.902048 2.070767 -2.181850
H 1.776335 3.350380 -1.588269
H 3.434360 3.928552 0.356215
H 4.577642 2.657919 -0.228612
H -2.397374 0.299256 2.567083
H 2.417565 -0.321730 2.549341
H -0.582812 -1.071706 2.959234
H -0.303684 -1.342074 1.232331
H 0.315610 1.330347 1.240915
H 0.605736 1.046291 2.963846


%chk=000253453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253453

0 1
S -4.686819 0.614945 0.358688
S 4.692223 -0.620201 0.332339
P -2.907061 -0.493633 0.291598
P 2.912641 0.489446 0.279917
N -3.051420 -2.286000 0.204574
N -1.792479 -0.257902 -1.096011
N 1.790880 0.260706 -1.103058
N 3.056982 2.282106 0.201028
N -1.884479 -0.195116 1.639767
N 1.897238 0.184956 1.632105
C -4.248170 -2.910433 0.897168
C -4.194463 -2.859284 -0.616993
C -2.370804 0.223377 -2.412882
C -1.553864 1.170492 -1.555814
C 2.362379 -0.213111 -2.425559
C 1.550512 -1.165299 -1.569243
C 4.196192 2.859561 -0.622883
C 4.256858 2.903018 0.891254
C -0.475404 -0.614560 1.730058
C 0.488617 0.603705 1.731813
H -4.962766 -2.235937 1.388032
H -4.016500 -3.839322 1.425944
H -3.924826 -3.748974 -1.193222
H -4.876802 -2.151270 -1.106560
H -1.931099 -0.250069 -3.295755
H -3.453721 0.405892 -2.450090
H -0.501038 1.371215 -1.777279
H -2.108340 1.969027 -1.044884
H 1.917747 0.265033 -3.303425
H 3.445173 -0.394855 -2.469592
H 2.108195 -1.966134 -1.065469
H 0.496578 -1.365345 -1.785887
H 4.876436 2.154100 -1.119002
H 3.924053 3.752229 -1.193293
H 4.027710 3.829236 1.425788
H 4.973796 2.226137 1.375376
H -2.300197 0.332129 2.408484
H 2.316441 -0.347528 2.395316
H -0.318056 -1.231040 2.638594
H -0.244819 -1.246440 0.857368
H 0.253849 1.241352 0.864459
H 0.335625 1.214192 2.645127


