%chk=000118080.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118080

0 1
S -4.951190 0.055778 -1.307036
O 2.508784 -2.878438 -0.475681
O 0.238947 -0.305974 2.521207
O 1.826371 4.355541 2.025100
O -5.575985 -0.547905 -2.469223
O -5.744709 0.452514 -0.160646
N 1.366648 -1.584105 1.003392
N -4.225046 1.508348 -1.886248
C 3.004385 -0.517032 -0.656332
C 2.704213 0.786440 0.054127
C 2.299365 -1.756300 -0.059524
C 1.786281 0.861281 1.116016
C 2.515267 -0.432147 -2.111913
C 4.509682 -0.819683 -0.585603
C 0.645101 -2.803661 1.494631
C 1.054447 -0.335957 1.619124
C 3.349304 1.961098 -0.363005
C -0.315292 -3.374328 0.443030
C 1.517128 2.073872 1.752310
C 3.100465 3.187825 0.254985
C 2.182390 3.234943 1.312891
C -1.450357 -2.482199 0.030231
C -2.038828 -1.565955 0.914944
C -1.963247 -2.605636 -1.275718
C -3.622179 -0.906941 -0.797361
C -3.118307 -0.783927 0.502093
C -3.042276 -1.823356 -1.683007
C 2.444970 5.613945 1.661150
H 1.446112 -0.190871 -2.166530
H 2.669915 -1.384616 -2.639732
H 3.052708 0.339239 -2.674241
H 4.733419 -1.814749 -1.000611
H 4.878005 -0.803204 0.447265
H 5.097780 -0.094054 -1.157384
H 0.101364 -2.543070 2.434366
H 1.409066 -3.575422 1.750157
H 4.062740 1.921776 -1.188307
H 0.282489 -3.680599 -0.449708
H -0.743923 -4.324799 0.836517
H 0.801294 2.129857 2.578950
H 3.614978 4.081100 -0.088041
H -1.645245 -1.445864 1.929543
H -1.519667 -3.315918 -1.971440
H -3.575225 -0.079010 1.206181
H -3.443274 -1.934269 -2.697034
H 2.183075 5.885202 0.634699
H 3.526828 5.565283 1.812653
H 1.979207 6.303191 2.379559
H -4.307840 1.717975 -2.878089
H -4.377438 2.361782 -1.354010


%chk=000118080-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118080

0 1
S -4.885139 0.101473 -1.534934
O 2.568368 -2.921816 -0.384146
O 0.330153 -0.315303 2.741348
O 1.937439 4.400601 2.216612
O -5.543996 -0.666363 -2.811847
O -5.756383 0.619737 -0.258933
N 1.382349 -1.593236 1.092910
N -4.021996 1.564369 -2.262451
C 2.877981 -0.515427 -0.679415
C 2.664836 0.787492 0.090138
C 2.295299 -1.757516 0.025889
C 1.817456 0.849528 1.230165
C 2.125896 -0.438479 -2.055713
C 4.389520 -0.789382 -0.936392
C 0.720886 -2.822643 1.619107
C 1.117854 -0.355747 1.751217
C 3.273837 1.988586 -0.340077
C -0.283396 -3.450887 0.622454
C 1.597472 2.066171 1.914775
C 3.066608 3.211482 0.331405
C 2.219865 3.250415 1.470635
C -1.387246 -2.532930 0.110954
C -2.067776 -1.623506 0.963880
C -1.787854 -2.625000 -1.248809
C -3.470746 -0.947343 -0.876718
C -3.121041 -0.819747 0.475910
C -2.838419 -1.833463 -1.761204
C 2.554404 5.659596 1.788230
H 1.040670 -0.287790 -1.914057
H 2.287083 -1.373545 -2.619645
H 2.516284 0.408554 -2.646271
H 4.508715 -1.781244 -1.401885
H 4.963296 -0.770985 0.006761
H 4.813260 -0.029095 -1.614813
H 0.234214 -2.528307 2.561482
H 1.505584 -3.567175 1.836852
H 3.929526 1.980680 -1.217099
H 0.279382 -3.868318 -0.229695
H -0.743729 -4.313139 1.148135
H 0.940202 2.081689 2.788464
H 3.561352 4.115390 -0.036119
H -1.769958 -1.522216 2.012404
H -1.273205 -3.326962 -1.915166
H -3.665677 -0.130305 1.128657
H -3.167792 -1.914606 -2.801763
H 2.234644 5.936926 0.764932
H 3.659445 5.602322 1.832142
H 2.194168 6.411290 2.505124
H -4.400399 1.694107 -3.216398
H -4.190594 2.379072 -1.648337


