%chk=000229216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229216

0 1
S -2.835481 -1.649251 0.243782
O -3.408346 -2.416920 1.328966
O -3.609057 -1.401226 -0.941444
O 2.913580 -4.894483 -0.534622
O 3.037595 -3.554168 -2.229446
N -2.418461 -0.155698 1.030948
N -1.787148 0.714200 0.176470
N 2.478258 -4.004793 -1.244808
C -0.854328 2.781893 -0.572751
C -1.292440 -2.326656 -0.192714
C 0.429133 3.334996 -0.012134
C -1.609096 1.975110 0.459936
C -0.751216 -3.350446 0.590016
C -0.616362 -1.847653 -1.316715
C 0.632596 4.720441 0.057377
C 1.433485 2.459971 0.431063
C -2.082516 2.697450 1.681274
C 1.156392 -3.418827 -0.878086
C 0.484652 -3.907929 0.249844
C 0.622520 -2.395288 -1.669345
C 1.834624 5.224764 0.563616
C 2.630814 2.970071 0.937049
C 2.834453 4.352920 1.004033
H -0.625529 2.164085 -1.472867
H -1.519173 3.590960 -0.946276
H -1.294332 -3.722914 1.469617
H -1.047840 -1.042087 -1.925128
H -2.968956 0.197223 1.827940
H -0.138605 5.407076 -0.284717
H 1.274524 1.383636 0.381524
H -1.715142 3.734562 1.717831
H -1.723144 2.215739 2.603141
H -3.179355 2.745176 1.727348
H 0.926291 -4.712084 0.848881
H 1.169533 -2.033982 -2.547295
H 1.991048 6.301391 0.613530
H 3.408938 2.289117 1.279371
H 3.769190 4.747722 1.396890


%chk=000229216-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229216

0 1
S -2.887849 -1.644718 0.036342
O -3.681126 -2.484180 1.181262
O -3.569092 -1.243148 -1.383340
O 2.852799 -5.295242 -0.299404
O 2.964443 -4.227022 -2.311770
N -2.222883 -0.109361 1.012438
N -1.682668 0.818012 0.132917
N 2.390075 -4.481056 -1.185777
C -0.886067 3.019101 -0.472425
C -1.250460 -2.500803 -0.334634
C 0.417712 3.625835 0.050566
C -1.542376 2.072522 0.517253
C -0.746716 -3.390497 0.628201
C -0.630530 -2.231344 -1.565408
C 0.574507 5.029117 0.167737
C 1.499217 2.784611 0.421264
C -1.973883 2.584975 1.877144
C 1.106101 -3.784903 -0.887050
C 0.464472 -4.052809 0.342535
C 0.582870 -2.892490 -1.848103
C 1.786477 5.584311 0.640849
C 2.710312 3.335523 0.893951
C 2.858182 4.738613 1.005931
H -0.708040 2.455529 -1.405996
H -1.597060 3.835394 -0.709643
H -1.295092 -3.568263 1.558406
H -1.091349 -1.541511 -2.278138
H -3.024002 0.183154 1.618407
H -0.251725 5.691728 -0.119512
H 1.387913 1.696664 0.335506
H -1.678381 3.636339 2.013523
H -1.514951 1.989489 2.689716
H -3.075204 2.518670 2.003303
H 0.913270 -4.760605 1.043680
H 1.122075 -2.730143 -2.784593
H 1.893397 6.671909 0.722128
H 3.538572 2.674339 1.172974
H 3.798163 5.166358 1.371858


