%chk=000236130.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236130

0 1
S 0.613685 1.632049 -0.227241
O -0.130579 1.487699 -1.458430
O 1.158623 2.915389 0.160701
O -3.234739 1.158430 0.135675
O -3.363628 -3.414787 0.018533
N -0.375636 1.097096 1.105255
N -3.289748 -1.095406 0.055212
N -1.444754 -2.428062 0.806058
C -0.896218 2.122925 2.059279
C 1.863455 0.435795 -0.205431
C -1.220419 -0.025257 0.836320
C -1.572902 3.319455 1.403744
C 1.881153 -0.569931 -1.178286
C 2.873286 0.489536 0.760617
C -2.602211 0.147667 0.327777
C -0.713792 -1.270846 1.084796
C 3.900550 -1.490089 -0.196897
C 2.888945 -1.533519 -1.173097
C 3.884987 -0.470976 0.771811
C -2.767797 -2.385658 0.262465
C 4.993050 -2.504937 -0.199973
H -1.593682 1.629983 2.772315
H -0.011060 2.463989 2.649188
H -0.857576 3.950533 0.853768
H -2.359043 3.015946 0.692024
H -2.053249 3.959814 2.151354
H 1.104055 -0.595716 -1.953285
H 2.877982 1.290815 1.507467
H 0.296507 -1.414596 1.496276
H 2.899945 -2.310491 -1.935601
H 4.670488 -0.422284 1.523878
H -4.241797 -1.033833 -0.338818
H -1.041589 -3.350016 0.987641
H 4.689267 -3.456463 -0.658005
H 5.357923 -2.736255 0.810559
H 5.859517 -2.137997 -0.774849


%chk=000236130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236130

0 1
S 0.717595 1.844562 -0.028028
O 0.021329 1.910718 -1.507282
O 1.487034 3.131778 0.612586
O -3.427218 0.982649 0.423929
O -2.871809 -3.624986 -0.133378
N -0.527167 1.195037 1.439942
N -3.089214 -1.298311 0.167102
N -1.105379 -2.378141 0.776757
C -1.200370 2.389556 2.057846
C 1.942402 0.409546 -0.095478
C -1.238979 0.040922 1.053277
C -1.772298 3.486855 1.133092
C 1.859126 -0.479422 -1.178306
C 2.931079 0.322241 0.898999
C -2.635757 0.008972 0.535849
C -0.567222 -1.173095 1.183366
C 3.825384 -1.661898 -0.268115
C 2.810853 -1.521931 -1.252126
C 3.871215 -0.727306 0.803013
C -2.403433 -2.516794 0.232730
C 4.868460 -2.758481 -0.379033
H -2.014191 1.969984 2.680066
H -0.448460 2.835799 2.732743
H -0.969408 3.992683 0.570563
H -2.515729 3.073529 0.437011
H -2.265209 4.249663 1.764769
H 1.088727 -0.340256 -1.944164
H 2.974874 1.061471 1.705029
H 0.434801 -1.196463 1.616181
H 2.769711 -2.227496 -2.089850
H 4.656426 -0.815607 1.562813
H -4.042875 -1.342195 -0.208208
H -0.576722 -3.248005 0.867890
H 4.494947 -3.620501 -0.957895
H 5.186820 -3.121044 0.613996
H 5.773658 -2.384032 -0.894886


