%chk=000270097.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270097

0 1
S 5.154001 -0.164810 -0.257448
O -2.951668 -0.362449 -0.272529
O -1.472406 -1.393616 1.145562
O 5.559122 -1.460166 0.264028
O 5.678818 0.289146 -1.537264
N -0.779028 0.018547 -0.614094
C -4.100488 -0.939051 0.471804
C -5.281670 -0.833410 -0.495246
C -4.276661 -0.224852 1.812947
C -5.348829 0.426784 -1.367485
C -4.334348 1.303406 1.747490
C -4.959387 1.740261 -0.676971
C -5.400093 1.849711 0.788053
C -1.701822 -0.668178 0.203055
C 0.635094 -0.062839 -0.495917
C 3.423341 -0.118876 -0.339869
C 5.526117 1.064515 0.961770
C 1.403855 0.707321 -1.399106
C 1.263638 -0.869975 0.471347
C 2.792820 0.662686 -1.313735
C 2.654440 -0.897856 0.531727
C 7.032702 1.149626 1.144883
H -3.838305 -2.010656 0.650425
H -6.215239 -0.913662 0.101012
H -5.274498 -1.716939 -1.167169
H -3.437614 -0.521404 2.482289
H -5.194913 -0.613226 2.298591
H -6.377273 0.512056 -1.772078
H -4.685284 0.287505 -2.245840
H -3.338255 1.692327 1.452866
H -4.521393 1.695071 2.767365
H -5.381678 2.585037 -1.254646
H -3.856241 1.854722 -0.733267
H -5.592853 2.912826 1.032692
H -6.363483 1.330162 0.943600
H -1.166296 0.594976 -1.370006
H 5.126797 2.057184 0.675396
H 5.043464 0.836250 1.932370
H 3.396566 1.240152 -2.025842
H 3.146741 -1.547751 1.265797
H 0.927273 1.319824 -2.159978
H 0.667888 -1.478162 1.161621
H 7.300558 1.903942 1.895797
H 7.459389 0.192437 1.482678
H 7.544400 1.428006 0.210626


%chk=000270097-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270097

0 1
S 5.372998 -0.192861 -0.348760
O -2.921605 -0.192350 -0.165319
O -1.438539 -1.458412 1.163820
O 5.796900 -1.702283 0.131279
O 5.884892 0.447195 -1.770486
N -0.708064 0.107808 -0.462033
C -4.100336 -0.827035 0.526680
C -5.240574 -0.923202 -0.504111
C -4.437035 -0.069127 1.828134
C -5.504241 0.304384 -1.418088
C -4.749593 1.439772 1.714505
C -5.397144 1.713592 -0.773936
C -5.856076 1.830649 0.702412
C -1.656947 -0.600852 0.272544
C 0.700891 0.008199 -0.383436
C 3.489163 -0.087123 -0.332973
C 5.968317 1.022631 1.056754
C 1.462749 0.856921 -1.236688
C 1.359630 -0.905822 0.486844
C 2.868781 0.810646 -1.218139
C 2.768308 -0.954532 0.503736
C 7.492288 0.983072 1.100662
H -3.777507 -1.846912 0.812239
H -6.154574 -1.160953 0.075513
H -5.055634 -1.797622 -1.157511
H -3.600644 -0.214846 2.538907
H -5.312489 -0.591231 2.267106
H -6.518948 0.172971 -1.844543
H -4.803899 0.266066 -2.273870
H -3.824159 1.986229 1.442526
H -5.033923 1.795000 2.725356
H -5.980931 2.417432 -1.399722
H -4.343864 2.052878 -0.824217
H -6.143862 2.882179 0.900471
H -6.768125 1.222770 0.876885
H -1.099777 0.763020 -1.142365
H 5.547480 1.996185 0.758438
H 5.478630 0.634217 1.964141
H 3.473816 1.427281 -1.891075
H 3.296667 -1.677964 1.133983
H 0.952629 1.546123 -1.920466
H 0.767460 -1.564523 1.124616
H 7.855247 1.660138 1.895869
H 7.854366 -0.035830 1.321287
H 7.924577 1.312724 0.140333


