%chk=000290241.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290241

0 1
S -0.410084 2.295863 -0.033572
O 0.884603 -2.541215 0.010972
O 4.335449 0.484833 -0.005815
N 2.205563 1.343915 -0.017938
N 2.589359 -1.042776 0.007680
C -1.132714 -0.189995 0.005975
C -1.974190 -1.419962 0.049148
C -3.428911 -1.108044 -0.338787
C -3.942006 0.168454 0.346125
C -3.104627 1.405691 -0.043102
C -1.664116 1.067562 -0.015149
C 0.316680 -0.194498 0.004162
C 0.851046 1.086458 -0.013916
C 1.173071 -1.365645 0.009300
C 3.145069 0.252537 -0.004966
H -1.548909 -2.206703 -0.612771
H -1.926775 -1.856210 1.071455
H -3.501752 -0.995658 -1.438476
H -4.076339 -1.964775 -0.073594
H -3.912912 0.035958 1.445463
H -5.001713 0.339458 0.082084
H -3.340180 2.244845 0.643012
H -3.392515 1.749276 -1.061009
H 2.577452 2.297249 -0.029996
H 3.256251 -1.829819 0.013716


%chk=000290241-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290241

0 1
S -0.380600 2.359238 -0.064352
O 0.901202 -2.584096 0.064300
O 4.431453 0.497130 -0.005825
N 2.238920 1.324633 -0.029448
N 2.613607 -0.998424 0.028044
C -1.129850 -0.213454 0.001357
C -2.009516 -1.450041 0.027579
C -3.471013 -1.109614 -0.355180
C -3.970199 0.163283 0.370046
C -3.139982 1.410127 -0.044525
C -1.675221 1.055838 -0.032984
C 0.324589 -0.208572 0.008091
C 0.874127 1.077767 -0.025791
C 1.225768 -1.361703 0.036248
C 3.189892 0.280498 -0.001862
H -1.590335 -2.218449 -0.645517
H -1.972740 -1.897427 1.041061
H -3.539149 -0.951583 -1.450198
H -4.124759 -1.967637 -0.111945
H -3.885140 0.016593 1.464417
H -5.037262 0.345802 0.144134
H -3.351860 2.251059 0.644081
H -3.446513 1.746553 -1.056537
H 2.625746 2.269912 -0.052844
H 3.275637 -1.780636 0.047650


