%chk=000241412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241412

0 1
S 1.293401 2.707530 0.512267
O 3.507590 -1.560923 0.161234
O 1.412060 -1.823398 -0.656598
O -4.727559 -0.804425 0.598935
O -3.340307 -0.421335 2.215116
N 3.218673 1.094467 0.634455
N -3.641027 -0.464662 1.034663
N 2.982533 2.290150 0.862761
C -0.364657 0.687014 -0.426677
C 0.964107 1.075669 0.023769
C -1.334741 0.305389 0.510476
C -0.665648 0.678448 -1.801729
C -2.605565 -0.065305 0.050403
C 2.117253 0.327899 0.149783
C -1.938355 0.301857 -2.238295
C -2.918514 -0.073952 -1.317029
C 2.260319 -1.108351 -0.171275
C 3.763982 -2.971686 -0.098495
H -1.113945 0.286595 1.584866
H 0.101474 0.957034 -2.528391
H -2.166031 0.292205 -3.306216
H -3.919549 -0.376859 -1.646167
H 3.070796 -3.585905 0.484540
H 4.799685 -3.080137 0.245166
H 3.661725 -3.174619 -1.168760


%chk=000241412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241412

0 1
S 0.962904 2.464960 1.204750
O 3.710359 -1.481341 -0.028604
O 1.641903 -1.744425 -1.067745
O -5.157999 -0.077219 0.431624
O -3.865760 0.687702 2.148558
N 3.177361 0.971580 0.854377
N -4.023332 0.272220 0.937038
N 2.991986 2.069690 1.433783
C -0.420895 0.492513 -0.220259
C 0.887169 0.933619 0.321074
C -1.577795 0.580672 0.595713
C -0.553265 0.028180 -1.559011
C -2.821422 0.190225 0.065484
C 2.140532 0.271392 0.224197
C -1.816569 -0.339676 -2.069122
C -2.968777 -0.269612 -1.260598
C 2.429125 -1.061310 -0.365700
C 4.105487 -2.805705 -0.570019
H -1.523980 0.928412 1.631369
H 0.328647 -0.038919 -2.198411
H -1.898112 -0.688111 -3.102924
H -3.958003 -0.555373 -1.627189
H 3.429641 -3.589400 -0.189392
H 5.131696 -2.953047 -0.208066
H 4.066799 -2.794329 -1.672128


