%chk=000269757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269757

0 1
S 0.840663 2.192784 0.118295
O -3.764892 2.008412 1.274871
O 3.159289 0.292472 -2.858835
O 1.179904 0.953705 -2.277155
O 5.158893 -2.314614 2.446172
O 5.394044 -2.703519 0.328046
N -3.829429 0.854251 0.807529
N 2.286355 0.509425 -2.039199
N 4.898294 -2.117686 1.272726
C -1.348440 0.737709 0.933625
C -2.667842 0.104477 0.590089
C -0.735234 1.385421 -0.299924
C -5.171188 -0.993001 -0.025917
C -2.767754 -1.185530 0.061897
C -6.528268 -1.550511 -0.353308
C -5.062678 0.298316 0.500939
C -4.006650 -1.743361 -0.248544
C 1.960166 0.861751 0.425407
C 2.599504 0.185737 -0.624366
C -6.929623 -1.191864 -1.783083
C 2.295386 0.572135 1.751356
C 3.574816 -0.786760 -0.362911
C 3.882860 -1.077368 0.971061
C 3.255974 -0.400149 2.032307
H -1.502524 1.505804 1.734283
H -0.670915 -0.022593 1.372490
H -0.609771 0.668221 -1.136404
H -1.383825 2.204251 -0.688154
H -1.852633 -1.757247 -0.107905
H -6.535595 -2.653463 -0.223635
H -7.290108 -1.169147 0.359716
H -5.941690 0.924519 0.686818
H -4.069291 -2.747167 -0.663216
H -6.973909 -0.105089 -1.929932
H -7.918180 -1.597594 -2.029309
H -6.217143 -1.590664 -2.515878
H 1.808035 1.111108 2.571788
H 4.091894 -1.305595 -1.187171
H 3.528506 -0.643675 3.068234


%chk=000269757-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269757

0 1
S 0.777184 2.371032 0.792951
O -3.639444 1.672067 1.624628
O 0.740555 -1.602079 -1.413573
O 0.697083 0.620252 -1.931293
O 6.170783 -1.582665 1.865057
O 5.156395 -2.894576 0.292524
N -3.753622 0.554905 0.889997
N 1.099926 -0.373501 -1.214374
N 5.220378 -1.834054 1.026685
C -1.293458 0.373440 1.037200
C -2.606601 -0.169567 0.530772
C -0.897215 1.659692 0.270905
C -5.176653 -1.036025 -0.302245
C -2.749833 -1.321232 -0.263536
C -6.566748 -1.448494 -0.759258
C -5.008990 0.112422 0.486531
C -4.019611 -1.765538 -0.687697
C 2.028662 1.060685 0.685300
C 2.071583 -0.108818 -0.131689
C -6.853252 -1.023652 -2.224615
C 3.118862 1.253408 1.588086
C 3.092485 -1.074971 -0.003197
C 4.135125 -0.837219 0.902947
C 4.171579 0.337469 1.693947
H -1.392091 0.626324 2.108742
H -0.527982 -0.413010 0.931039
H -0.890073 1.518675 -0.820349
H -1.590659 2.472847 0.546736
H -1.842619 -1.863870 -0.548258
H -6.669300 -2.547095 -0.673375
H -7.330038 -1.003550 -0.094186
H -5.831878 0.740255 0.832964
H -4.114206 -2.665622 -1.302988
H -6.795488 0.073887 -2.335581
H -7.862625 -1.349294 -2.533803
H -6.120175 -1.471438 -2.919336
H 3.105944 2.137721 2.233451
H 3.082241 -1.979885 -0.616337
H 5.000776 0.494976 2.388030


