%chk=000108306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108306

0 1
S -1.075932 2.945935 0.174167
O -0.160042 -2.270033 0.084301
O -0.181824 2.502220 -1.170523
O -1.075294 4.379537 0.235403
O -0.573637 2.163974 1.272272
N -1.754106 -1.179710 -1.229310
N 2.564143 0.812303 -0.564095
C -2.425310 0.120185 -1.479432
C -2.817003 0.877472 -0.194716
C -2.409365 -2.226608 -0.499765
C -0.384674 -1.175880 -0.783896
C -2.665122 2.389334 -0.338429
C -1.405293 -2.904801 0.254684
C -3.717845 -2.683362 -0.481859
C -1.657651 -4.019375 1.027337
C 0.596225 -0.334127 -1.147685
C -3.989865 -3.820768 0.303175
C -2.992740 -4.469378 1.035644
C 1.945128 -0.330814 -0.595006
C 3.903373 0.945140 -0.084988
C 4.143778 1.882936 0.938315
C 4.972029 0.244438 -0.674312
C 5.452456 2.111680 1.362189
C 6.276358 0.492714 -0.240393
C 6.520088 1.420315 0.776526
H -3.323033 -0.082609 -2.105596
H -1.733216 0.737051 -2.108374
H -3.866808 0.633664 0.069896
H -2.222195 0.506912 0.674650
H -2.884052 2.712495 -1.379854
H -3.457846 2.903020 0.249862
H -4.502881 -2.196084 -1.052560
H -0.876489 -4.519246 1.594212
H 0.372954 0.462753 -1.873180
H -5.010801 -4.202467 0.334789
H -3.245643 -5.347629 1.630556
H 2.327255 -1.295044 -0.223008
H 0.776126 2.276599 -1.016703
H 3.309490 2.420046 1.388681
H 4.785892 -0.470344 -1.471575
H 5.644024 2.834991 2.154143
H 7.107166 -0.042282 -0.698426
H 7.537380 1.607145 1.111781


%chk=000108306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108306

0 1
S -0.520275 3.076637 0.252619
O -0.307256 -2.672533 -0.058087
O 0.504924 2.582580 -1.018287
O -0.572000 4.690565 0.443494
O -0.245708 2.141907 1.580098
N -1.914588 -1.210368 -0.751023
N 2.395052 0.841308 -0.386474
C -2.513803 0.084852 -1.147027
C -2.622764 1.098788 0.032148
C -2.578595 -2.413476 -0.424471
C -0.550262 -1.364462 -0.517955
C -2.337132 2.554774 -0.357600
C -1.577177 -3.323088 -0.000248
C -3.929631 -2.801799 -0.453934
C -1.844139 -4.630512 0.401995
C 0.390431 -0.364290 -0.683342
C -4.224285 -4.127797 -0.048691
C -3.208078 -5.024915 0.368987
C 1.749504 -0.339748 -0.316483
C 3.753435 1.109246 -0.083484
C 4.135979 2.475228 0.001279
C 4.720113 0.087840 0.118923
C 5.470984 2.811866 0.300091
C 6.051177 0.439170 0.420998
C 6.434820 1.798568 0.514758
H -3.503950 -0.131422 -1.582439
H -1.891348 0.504319 -1.957525
H -3.626376 1.025446 0.489671
H -1.902668 0.831904 0.837752
H -2.326714 2.786009 -1.434569
H -2.954968 3.281381 0.191267
H -4.723790 -2.118613 -0.768092
H -1.049510 -5.306838 0.725811
H 0.015006 0.601737 -1.046553
H -5.265422 -4.465792 -0.056363
H -3.477125 -6.040181 0.675755
H 2.275148 -1.226180 0.054206
H 1.740372 1.687078 -0.621856
H 3.382026 3.254257 -0.157563
H 4.450812 -0.969975 0.028831
H 5.756936 3.866623 0.369154
H 6.794419 -0.350717 0.575648
H 7.471622 2.062920 0.747476


