%chk=000271655.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271655

0 1
S -0.560473 -1.016465 0.276327
O 1.820062 1.880028 -0.695721
O -2.544585 1.520564 -1.683530
N -0.380072 1.607302 -1.055263
C 0.812123 0.126313 0.645738
C 2.109159 -0.686946 0.612270
C 2.419846 -1.611425 -0.589296
C 0.572056 0.755023 2.033005
C -1.967041 0.126707 0.209287
C 0.832391 1.238506 -0.400230
C -1.704364 1.098963 -0.917455
C -3.225517 -0.706162 -0.039253
C 1.705266 -2.965570 -0.509464
C 2.189622 -0.946801 -1.947031
C 1.688622 1.695692 2.476561
C -3.717362 -1.404646 1.222273
H 2.948775 0.047508 0.682207
H 2.171786 -1.294586 1.540046
H 3.523022 -1.822326 -0.507490
H 0.453393 -0.054445 2.785199
H -0.390393 1.309107 2.039382
H -2.065767 0.697886 1.168231
H -3.053729 -1.448488 -0.847927
H -4.023568 -0.035755 -0.437495
H -0.268025 2.330090 -1.792084
H 0.700161 -2.938506 -0.948141
H 1.607708 -3.323584 0.519908
H 2.259890 -3.728192 -1.068956
H 1.125883 -0.797418 -2.163505
H 2.591189 -1.564475 -2.758436
H 2.684472 0.031832 -2.006396
H 2.609817 1.154155 2.722252
H 1.948551 2.428310 1.697879
H 1.396084 2.260456 3.369681
H -2.964544 -2.088823 1.634915
H -3.980755 -0.691399 2.011765
H -4.614283 -2.001431 1.012646


%chk=000271655-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271655

0 1
S -0.639162 -1.083677 0.293438
O 1.825861 1.866583 -0.823893
O -2.713315 1.901736 -1.364304
N -0.458549 1.706718 -0.953958
C 0.816469 0.135977 0.600427
C 2.165992 -0.639851 0.562769
C 2.510595 -1.654522 -0.576696
C 0.621515 0.791401 2.016483
C -2.070163 0.164449 0.241537
C 0.786264 1.259297 -0.447942
C -1.794257 1.295295 -0.750167
C -3.380557 -0.583182 -0.088259
C 1.927144 -3.074238 -0.354293
C 2.205941 -1.141231 -2.004198
C 1.748716 1.750706 2.463800
C -3.847806 -1.514058 1.049328
H 2.940876 0.149600 0.545262
H 2.264374 -1.168183 1.532293
H 3.614640 -1.762582 -0.503424
H 0.526029 -0.042030 2.737401
H -0.338469 1.341908 2.038331
H -2.159100 0.614281 1.249809
H -3.244237 -1.154873 -1.026021
H -4.148986 0.182806 -0.298522
H -0.367904 2.490502 -1.615405
H 0.836695 -3.105337 -0.522516
H 2.127178 -3.435924 0.672122
H 2.392551 -3.787687 -1.060537
H 1.117610 -1.020910 -2.161390
H 2.569720 -1.869639 -2.752887
H 2.694497 -0.170793 -2.199236
H 2.705682 1.219866 2.603899
H 1.916613 2.560013 1.731983
H 1.477811 2.213048 3.430298
H -3.107298 -2.305635 1.261970
H -4.012629 -0.946046 1.984553
H -4.800943 -2.002787 0.779845


