%chk=000279678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279678

0 1
S -1.729379 1.027713 0.448952
O -2.192203 0.305314 1.838791
O -1.653081 2.685348 0.441370
O 0.980622 2.610062 -0.314121
N -2.883629 0.434617 -1.039379
C 0.120356 0.289996 -0.202145
C -3.618061 1.636236 -1.565417
C -3.944241 -0.472066 -0.475171
C -4.876621 1.822413 -0.679779
C -5.200152 0.392749 -0.138214
C 1.194439 1.305564 0.293354
C 0.158322 -1.129460 0.237232
C 2.566312 0.804388 -0.163992
C 0.025662 -2.158886 -0.734052
C 0.316159 -1.485773 1.605808
C 3.369952 -0.003025 0.676195
C 3.032021 1.145051 -1.457660
C 0.084692 -3.515330 -0.353424
C 0.364714 -2.842086 1.984910
C 0.255183 -3.860265 1.008030
C 4.624226 -0.472099 0.226632
C 4.286048 0.675658 -1.906484
C 5.084133 -0.137811 -1.068332
H -0.054273 0.419957 -1.282851
H -3.879623 1.383660 -2.611815
H -2.953330 2.516015 -1.571914
H -3.547836 -1.009405 0.403327
H -4.150394 -1.212139 -1.271308
H -5.716499 2.254275 -1.250697
H -4.638825 2.511121 0.149778
H -5.375586 0.417118 0.949924
H -6.102016 -0.026347 -0.618095
H 1.163941 1.365404 1.402814
H -0.109711 -1.888516 -1.787662
H 0.367540 -0.706328 2.372887
H 0.069205 2.947836 -0.033502
H 3.023115 -0.262431 1.683237
H 2.422568 1.808712 -2.078272
H -0.004084 -4.300279 -1.112188
H 0.476866 -3.108175 3.041472
H 0.294788 -4.913864 1.306308
H 5.242684 -1.091077 0.886172
H 4.644890 0.950478 -2.904846
H 6.058210 -0.499726 -1.416471


%chk=000279678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279678

0 1
S -1.703504 1.027956 0.520843
O -2.171720 0.284078 1.898073
O -1.594061 2.684316 0.552527
O 0.967580 2.594866 -0.299399
N -2.888970 0.473745 -0.980179
C 0.126172 0.273927 -0.161133
C -3.591713 1.709483 -1.479357
C -3.960020 -0.434146 -0.417991
C -4.890173 1.830846 -0.651196
C -5.308590 0.349677 -0.447169
C 1.208914 1.293001 0.302220
C 0.171716 -1.142447 0.287174
C 2.569605 0.796779 -0.193191
C 0.019150 -2.178072 -0.674532
C 0.357741 -1.490113 1.654295
C 3.390858 -0.021496 0.619181
C 3.006535 1.152215 -1.493043
C 0.086715 -3.532080 -0.286517
C 0.415452 -2.843775 2.041050
C 0.286269 -3.868193 1.073093
C 4.634005 -0.486491 0.136242
C 4.249693 0.686789 -1.975154
C 5.065253 -0.137254 -1.164701
H -0.072155 0.394688 -1.238882
H -3.806328 1.519938 -2.549843
H -2.928567 2.587712 -1.400673
H -3.679505 -0.738242 0.609650
H -3.977464 -1.341053 -1.048514
H -5.665213 2.426126 -1.163511
H -4.662828 2.317038 0.315213
H -5.887261 0.205368 0.480255
H -5.931114 0.010230 -1.295368
H 1.210314 1.353518 1.411874
H -0.138078 -1.914475 -1.726857
H 0.423750 -0.705781 2.415363
H 0.067457 2.928199 0.018390
H 3.066031 -0.292999 1.630274
H 2.383466 1.822852 -2.092144
H -0.017759 -4.321937 -1.038161
H 0.549551 -3.103051 3.096728
H 0.332535 -4.919848 1.377210
H 5.266205 -1.114058 0.774265
H 4.586360 0.972789 -2.978089
H 6.030799 -0.496030 -1.538909


