%chk=000211713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211713

0 1
S -5.461029 1.391813 -0.114470
S -2.859172 2.843922 -0.000452
O -3.839979 -1.985575 0.828244
O 3.529597 1.473819 0.197408
O 4.512396 -0.835122 0.458874
N -3.232250 0.216952 0.482649
C -1.783690 -0.055126 0.729908
C -1.042347 -0.334198 -0.586868
C -5.594887 -0.400209 0.220528
C 0.425649 -0.516781 -0.311564
C -4.184179 -0.868908 0.537918
C -3.701782 1.472717 0.142768
C 1.249919 0.628015 -0.197362
C -6.164023 -1.112717 -0.984569
C 0.967299 -1.787307 -0.162218
C 2.603677 0.472996 0.059253
C 3.162103 -0.843821 0.209409
C 2.342600 -1.957135 0.098132
C 3.057406 2.854804 0.056215
C 5.172487 -2.132286 0.623498
C 4.322439 3.663987 0.264485
C 6.616698 -1.744066 0.874788
H -1.331930 0.815169 1.261368
H -1.708436 -0.937051 1.410606
H -1.197274 0.499490 -1.304862
H -1.466128 -1.230933 -1.083413
H -6.244262 -0.554813 1.120597
H 0.805294 1.612376 -0.314436
H -6.181505 -2.204213 -0.827654
H -5.583589 -0.930790 -1.901366
H -7.197822 -0.801012 -1.192456
H 0.337746 -2.671050 -0.243595
H 2.736349 -2.962908 0.207561
H 2.293938 3.044929 0.829584
H 2.630578 2.977482 -0.953648
H 4.713767 -2.653449 1.480757
H 5.040665 -2.713937 -0.304532
H 4.127981 4.738956 0.188125
H 4.763878 3.462256 1.250992
H 5.089397 3.398230 -0.477054
H 6.705182 -1.103558 1.764040
H 7.021807 -1.162069 0.034534
H 7.250235 -2.624976 1.020581


%chk=000211713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211713

0 1
S -5.478187 1.527882 -0.096576
S -2.725276 2.916112 0.069857
O -3.867318 -2.015696 0.739025
O 3.543650 1.542269 0.201039
O 4.608714 -0.868425 0.482128
N -3.225237 0.234252 0.481486
C -1.789743 -0.063244 0.718129
C -1.038069 -0.381778 -0.603194
C -5.598739 -0.348058 0.208571
C 0.450747 -0.556162 -0.346040
C -4.170759 -0.819174 0.505830
C -3.671965 1.526811 0.177338
C 1.280106 0.590945 -0.211288
C -6.219880 -1.105284 -0.979635
C 1.027802 -1.833158 -0.196290
C 2.658514 0.467803 0.062333
C 3.235256 -0.836411 0.213114
C 2.409693 -1.973735 0.081012
C 2.991108 2.902973 0.049398
C 5.237909 -2.193153 0.642566
C 4.154081 3.871349 0.244904
C 6.717037 -1.941677 0.922990
H -1.344755 0.820499 1.204777
H -1.745226 -0.928384 1.400950
H -1.213035 0.450217 -1.310693
H -1.465205 -1.300835 -1.043742
H -6.204787 -0.488573 1.120468
H 0.830248 1.582132 -0.333197
H -6.205116 -2.188509 -0.764361
H -5.652063 -0.921672 -1.907275
H -7.264783 -0.791527 -1.141005
H 0.403328 -2.728265 -0.297666
H 2.833270 -2.976346 0.188806
H 2.197017 3.066710 0.807293
H 2.541948 3.009419 -0.959914
H 4.754521 -2.734242 1.482713
H 5.097754 -2.785273 -0.285827
H 3.801185 4.913892 0.143804
H 4.599454 3.745836 1.246391
H 4.940275 3.691031 -0.507769
H 6.840408 -1.340880 1.839949
H 7.182537 -1.393954 0.086161
H 7.248383 -2.901814 1.055744


