%chk=000295846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295846

0 1
S 1.385362 -0.812521 -0.184252
O -3.361541 -2.176920 -0.223767
N -1.217548 -1.445393 -0.162641
N -0.637004 0.722172 0.690019
C -4.429038 0.326704 0.890859
C -2.975148 0.052178 0.655131
C -5.058928 0.957303 -0.334646
C -2.638955 -1.249401 0.074065
C 2.268258 0.694526 0.340301
C 3.698018 0.385025 0.049857
C -0.303937 -0.446665 0.157020
C -1.991964 0.962792 0.932547
C -5.242450 2.440825 -0.273445
C 4.247327 0.699924 -1.203737
C 4.501472 -0.221586 1.029050
C 5.588164 0.412424 -1.470892
C 5.841538 -0.506204 0.754919
C -5.417129 0.219611 -1.387026
C 6.386970 -0.190023 -0.493557
H -4.958670 -0.625325 1.132751
H -4.565897 0.967484 1.785132
H 2.071468 0.906563 1.411926
H 1.887534 1.579310 -0.211270
H -2.201078 1.948359 1.366090
H -0.919468 -2.335654 -0.576550
H -5.947708 2.723469 0.519642
H -4.292041 2.952459 -0.072050
H -5.635642 2.851483 -1.213210
H 3.629757 1.166786 -1.970114
H 4.081993 -0.472726 2.002494
H 6.011358 0.658174 -2.444061
H 6.462200 -0.976440 1.516616
H -5.274624 -0.853407 -1.429988
H -5.868294 0.621583 -2.278995
H 7.431547 -0.412788 -0.704419


%chk=000295846-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295846

0 1
S 1.346185 -1.016036 -0.379174
O -3.569256 -2.186824 -0.290000
N -1.339766 -1.479515 -0.252167
N -0.630255 0.595765 0.671431
C -4.483908 0.345074 0.933754
C -3.031104 0.010071 0.652815
C -5.183086 0.964983 -0.286657
C -2.739983 -1.280113 0.013502
C 2.275905 0.527553 0.304645
C 3.753072 0.356789 0.057413
C -0.357968 -0.557103 0.070068
C -1.970745 0.854343 0.958239
C -4.857215 2.418722 -0.576209
C 4.345713 0.847044 -1.135352
C 4.574797 -0.291810 1.015954
C 5.731395 0.697008 -1.363614
C 5.960512 -0.443022 0.789568
C -6.031115 0.233649 -1.055845
C 6.542486 0.051139 -0.401391
H -5.007488 -0.584143 1.218705
H -4.537832 1.049024 1.787521
H 2.010367 0.581674 1.370519
H 1.838876 1.391130 -0.217313
H -2.151199 1.809454 1.464344
H -1.101547 -2.372353 -0.699785
H -5.159025 3.070064 0.268423
H -3.768285 2.562800 -0.719851
H -5.370646 2.776016 -1.485010
H 3.718455 1.347521 -1.882840
H 4.125208 -0.676521 1.939319
H 6.177544 1.083310 -2.286652
H 6.584725 -0.942240 1.538836
H -6.228198 -0.822042 -0.840376
H -6.528496 0.667198 -1.931960
H 7.617780 -0.064509 -0.577060


