%chk=000280795.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280795

0 1
S 2.900637 0.494845 -0.217376
O -2.355214 0.416229 -0.017185
O -1.611539 -1.787277 0.038493
N -3.873876 -1.208663 0.024531
C -1.104197 1.035260 -0.080225
C 1.274491 1.159519 -0.172837
C 0.124737 0.372033 -0.109100
C -1.219239 2.434411 -0.112486
C 1.206422 2.557838 -0.206957
C -0.044129 3.185004 -0.176377
C 2.692378 -1.321139 -0.146442
C -2.513695 -0.980904 0.021424
C -4.394975 -2.586801 0.123005
C 4.026907 -1.834643 -0.176300
C 5.152112 -2.267212 -0.201485
H 0.160395 -0.719511 -0.081216
H -2.198623 2.904128 -0.087920
H 2.112219 3.161823 -0.256603
H -0.102840 4.273877 -0.202680
H 2.152508 -1.621238 0.780981
H 2.088406 -1.683747 -1.009714
H -4.535845 -0.438847 0.023504
H -3.570877 -3.327361 0.090634
H -5.072966 -2.797328 -0.722607
H -4.942949 -2.730417 1.070532
H 6.115551 -2.638482 -0.222992


%chk=000280795-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280795

0 1
S 3.013464 0.625842 -0.230486
O -2.356375 0.399382 -0.019751
O -1.547784 -1.854212 -0.007490
N -3.828339 -1.298790 0.070570
C -1.115527 1.095537 -0.085493
C 1.303876 1.294106 -0.181880
C 0.153798 0.473029 -0.117592
C -1.258244 2.499242 -0.116281
C 1.186314 2.706715 -0.213727
C -0.095321 3.296247 -0.180923
C 2.687625 -1.256663 -0.147381
C -2.485105 -1.018653 0.012999
C -4.335888 -2.672115 0.121575
C 3.959654 -1.971952 -0.163126
C 5.027447 -2.587204 -0.176057
H 0.204613 -0.614576 -0.093144
H -2.258377 2.939777 -0.089587
H 2.081096 3.336198 -0.262979
H -0.187914 4.387181 -0.205358
H 2.127377 -1.463499 0.780798
H 2.066751 -1.533173 -1.016909
H -4.471300 -0.506768 0.081412
H -3.475469 -3.356847 0.061672
H -5.012533 -2.877514 -0.727843
H -4.876146 -2.865754 1.066601
H 5.958106 -3.124138 -0.187016


