%chk=000235609.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235609

0 1
S 2.612721 4.117037 -1.194648
S 4.752358 -3.076271 1.157754
O -0.093159 -1.941820 0.642432
O 2.860210 3.842585 -2.840219
O 5.088578 -3.672731 -0.385308
O 1.477153 4.989856 -1.094781
O 3.907720 4.523382 -0.717296
O 5.940050 -2.403805 1.598928
O 4.247333 -4.227273 1.859089
N -0.887580 0.447554 -0.124626
N -7.172777 -0.959108 0.308337
C 1.458833 -0.092176 0.118395
C 2.826929 0.282485 0.050451
C 0.458893 0.897145 -0.226895
C 2.209420 2.516658 -0.687531
C 3.183522 1.612514 -0.359870
C 3.850112 -0.654922 0.383446
C 1.156765 -1.441743 0.531127
C 3.512912 -1.932202 0.768304
C 0.835028 2.167567 -0.621310
C 2.171075 -2.343358 0.851185
C -3.273167 0.604136 -0.215423
C -1.940425 1.184982 -0.359343
C -5.883507 -0.469653 0.052823
C -4.409466 1.396112 -0.484637
C -3.466067 -0.734602 0.187796
C -5.687874 0.877734 -0.362173
C -4.737390 -1.268959 0.316145
C -8.337632 -0.255426 -0.285501
C -7.372763 -2.426153 0.420883
H 4.247784 1.878242 -0.396364
H 4.897021 -0.335878 0.331734
H 0.084696 2.922867 -0.880747
H 1.901897 -3.356991 1.168833
H -1.910006 2.246175 -0.666634
H -4.282553 2.434651 -0.798242
H -2.590726 -1.362485 0.399949
H -0.832564 -1.241477 0.395867
H -6.543877 1.514742 -0.573939
H -4.849671 -2.304058 0.632429
H 3.477279 4.439894 -3.288044
H -9.271233 -0.634030 0.164438
H -8.403717 -0.376508 -1.379300
H -8.286842 0.824095 -0.053590
H -8.383321 -2.636867 0.810025
H -6.656288 -2.850864 1.147995
H -7.251401 -2.953986 -0.539397
H 5.305919 -4.615367 -0.438450


%chk=000235609-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235609

0 1
S 2.591139 4.215572 -1.172342
S 4.948957 -3.133195 1.213876
O -0.083793 -1.919560 0.603880
O 2.781198 3.848690 -2.984528
O 5.120367 -3.866093 -0.486907
O 1.286266 5.152768 -0.971686
O 4.029473 4.667991 -0.588514
O 6.307156 -2.329148 1.568329
O 4.399061 -4.285623 2.206884
N -0.843216 0.309784 -0.116252
N -7.282873 -0.969014 0.057065
C 1.533233 -0.145228 0.113062
C 2.918860 0.270441 0.050518
C 0.486506 0.802157 -0.220229
C 2.184351 2.457240 -0.666411
C 3.235449 1.608012 -0.354552
C 3.965009 -0.648911 0.380681
C 1.212898 -1.506179 0.527127
C 3.580855 -1.929099 0.759541
C 0.818721 2.111340 -0.618712
C 2.257284 -2.399228 0.847609
C -3.276793 0.469664 -0.247252
C -1.942043 1.007100 -0.364885
C -5.983185 -0.498251 -0.044544
C -4.392958 1.312237 -0.545240
C -3.551458 -0.877196 0.156653
C -5.708600 0.853025 -0.450993
C -4.859842 -1.348737 0.256136
C -8.419666 -0.087081 -0.260550
C -7.542924 -2.355871 0.484422
H 4.274849 1.947843 -0.399873
H 5.016515 -0.350395 0.349669
H 0.067266 2.865465 -0.869064
H 2.024806 -3.417252 1.169449
H -1.874384 2.062574 -0.682086
H -4.210527 2.348636 -0.856355
H -2.727116 -1.557028 0.394005
H -0.673431 -1.025654 0.302913
H -6.528019 1.535369 -0.689012
H -5.023440 -2.383201 0.567947
H 3.082832 4.692193 -3.432780
H -9.360212 -0.643523 -0.133095
H -8.374515 0.272094 -1.307035
H -8.450445 0.794724 0.408882
H -8.628735 -2.531431 0.510236
H -7.141175 -2.550740 1.497464
H -7.094646 -3.088264 -0.214537
H 5.791147 -4.607316 -0.424820


