%chk=000217977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217977

0 1
S -1.874664 -0.932078 0.686902
O -1.781757 2.842632 -0.079655
O -5.509982 -0.641296 -1.514915
O -5.411726 -0.388124 0.709556
N -0.292788 1.118125 0.235089
N 0.897525 -0.927910 0.641312
C 0.902803 2.011503 0.002468
C 1.787928 2.074744 1.259492
C 1.702514 1.540370 -1.225081
C 2.960002 3.033915 1.010682
C 2.875116 2.500153 -1.469406
C 3.768861 2.616051 -0.226002
C 1.006329 -2.375100 0.927811
C 0.636986 -3.234563 -0.302507
C 2.459760 -2.645578 1.380614
C -0.182035 -0.271973 0.512941
C 1.658053 -3.096753 -1.438219
C 3.464705 -2.520434 0.228914
C 3.077836 -3.419017 -0.952939
C -1.594875 1.671663 0.170084
C -2.706307 0.665185 0.439166
C -3.668637 0.584193 -0.731025
C -4.910807 -0.175115 -0.366962
H 0.480697 3.037462 -0.203472
H 2.175593 1.065779 1.510536
H 1.197408 2.403724 2.133364
H 1.051634 1.490534 -2.116092
H 2.087039 0.511701 -1.064145
H 2.583795 4.067534 0.884027
H 3.616654 3.055855 1.900755
H 3.471854 2.145343 -2.330677
H 2.493621 3.499898 -1.753946
H 4.579121 3.345269 -0.410670
H 4.265263 1.644818 -0.033795
H 0.317671 -2.648279 1.775529
H -0.372193 -2.972458 -0.672141
H 0.576322 -4.293377 0.017751
H 2.508000 -3.661497 1.816642
H 2.734407 -1.942387 2.190898
H 1.627957 -2.064293 -1.839938
H 1.380574 -3.764009 -2.274999
H 4.479303 -2.774519 0.585839
H 3.505690 -1.462967 -0.104170
H 3.144219 -4.483067 -0.657316
H 3.798760 -3.285325 -1.780625
H -3.250104 0.947151 1.382822
H -3.960752 1.616464 -1.059436
H -3.193013 0.132743 -1.635467
H -6.351358 -1.141990 -1.333793


%chk=000217977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217977

0 1
S -1.940270 -1.068346 0.742462
O -1.827932 2.843180 -0.044040
O -5.856909 -0.268628 -1.371846
O -5.411828 -0.363954 0.906813
N -0.318583 1.055236 0.221691
N 0.896361 -0.979404 0.521392
C 0.875080 1.926192 -0.038767
C 1.807749 2.021841 1.192710
C 1.639714 1.498460 -1.314039
C 2.967203 3.006546 0.899841
C 2.797420 2.487838 -1.592721
C 3.745578 2.600244 -0.374345
C 0.944219 -2.440331 0.772236
C 0.822350 -3.221908 -0.569278
C 2.276468 -2.784872 1.483214
C -0.214248 -0.336173 0.474385
C 2.048428 -3.007355 -1.487109
C 3.498888 -2.557935 0.563216
C 3.366080 -3.358282 -0.755446
C -1.595072 1.626269 0.200714
C -2.726829 0.633979 0.494208
C -3.767277 0.654708 -0.637289
C -5.056811 -0.040456 -0.247231
H 0.428177 2.924966 -0.217877
H 2.212166 1.018851 1.420310
H 1.227752 2.360842 2.072366
H 0.943282 1.468501 -2.173965
H 2.044397 0.480595 -1.168915
H 2.559086 4.030022 0.766891
H 3.647960 3.044495 1.771664
H 3.358537 2.158565 -2.488198
H 2.382362 3.490540 -1.825390
H 4.547487 3.334971 -0.580956
H 4.239043 1.621057 -0.203766
H 0.094465 -2.739533 1.428876
H -0.111517 -2.928726 -1.085853
H 0.733008 -4.299535 -0.321731
H 2.235147 -3.849834 1.790391
H 2.366426 -2.179928 2.404995
H 2.081928 -1.947954 -1.809706
H 1.940634 -3.621848 -2.401804
H 4.427292 -2.841940 1.095227
H 3.571636 -1.477229 0.329848
H 3.379557 -4.444916 -0.527260
H 4.233456 -3.157782 -1.413793
H -3.211383 0.910464 1.446462
H -4.005118 1.713209 -0.868696
H -3.372613 0.204212 -1.564085
H -6.709945 -0.698214 -1.090006


