%chk=000250313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250313

0 1
S -3.938453 -2.277331 -0.099370
O 1.513837 1.420182 0.062677
O -2.256247 -1.817148 -0.067884
O -4.532407 -1.952058 1.162410
O -4.522117 -1.841073 -1.331961
N -2.245164 -0.433353 -0.025848
C -0.946188 1.574871 0.041925
C 0.331959 2.162048 0.070609
C 1.407672 0.028928 0.024766
C -1.048718 0.103109 -0.000158
C 0.226117 -0.616138 -0.010807
C 2.761126 -0.553903 0.020659
C -2.059967 2.435924 0.054281
C 0.532600 3.549858 0.111545
C -1.881616 3.817683 0.094082
C -0.591897 4.371577 0.122971
C 3.015310 -1.734369 0.738522
C 3.793814 0.068036 -0.700057
C 4.295658 -2.292202 0.722451
C 5.071152 -0.497100 -0.710744
C 5.322337 -1.676603 -0.002061
C -3.565579 -3.977857 -0.173428
H 0.166325 -1.705278 -0.059787
H -3.067714 2.007543 0.032265
H 1.542286 3.953411 0.135856
H -2.750540 4.474454 0.103381
H -0.468881 5.454975 0.155056
H 2.218568 -2.209468 1.311219
H 3.591594 0.991966 -1.244948
H 4.494917 -3.207804 1.278005
H 5.872079 -0.016647 -1.271540
H 6.319508 -2.115723 -0.012264
H -4.463319 -4.613108 -0.206396
H -2.976682 -4.252441 -1.062436
H -2.985170 -4.331161 0.692806


%chk=000250313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250313

0 1
S -4.047751 -2.413188 0.072457
O 1.533628 1.498933 -0.026886
O -2.207733 -1.764266 0.058701
O -4.745418 -2.098843 1.495660
O -4.791448 -2.025440 -1.308475
N -2.264303 -0.321243 0.038777
C -0.939440 1.680505 -0.005972
C 0.349284 2.273649 -0.031674
C 1.438797 0.094786 0.000337
C -1.037134 0.206937 0.019763
C 0.213482 -0.534056 0.018576
C 2.767950 -0.551525 -0.001531
C -2.069352 2.540781 -0.010133
C 0.530645 3.671195 -0.059570
C -1.905803 3.937266 -0.038179
C -0.604246 4.504597 -0.062943
C 2.902361 -1.957758 0.173528
C 3.944054 0.229516 -0.178763
C 4.173993 -2.562760 0.163881
C 5.215506 -0.380333 -0.187305
C 5.338374 -1.778244 -0.017690
C -3.460128 -4.219519 0.016908
H 0.165410 -1.623008 0.022841
H -3.063933 2.085856 0.008473
H 1.546113 4.077362 -0.076878
H -2.785453 4.588892 -0.040712
H -0.478037 5.592045 -0.084144
H 2.017420 -2.583136 0.329439
H 3.848554 1.310369 -0.309865
H 4.259757 -3.645955 0.302800
H 6.110475 0.235665 -0.326874
H 6.326257 -2.251487 -0.023402
H -4.373075 -4.830600 0.022800
H -2.886318 -4.325018 -0.912491
H -2.846287 -4.368177 0.914343


