%chk=000245727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245727

0 1
S -0.611041 -0.078236 -0.891454
O -6.348521 -0.053517 0.353422
O -0.216927 -0.231375 1.732729
O 6.502063 1.286832 0.027562
O 6.406380 -0.468710 -1.233720
N 5.905145 0.358435 -0.490864
C 1.750103 -0.023168 0.352720
C -2.302891 -0.121518 -0.451175
C 2.483688 1.018306 0.941426
C 2.368023 -0.943998 -0.504003
C 4.456205 0.224631 -0.194953
C 3.845193 1.148243 0.666070
C 3.731649 -0.822397 -0.781068
C 0.294121 -0.133726 0.657470
C -2.903645 -1.331965 -0.100521
C -3.040911 1.071726 -0.514543
C -5.005746 -0.179432 0.108834
C -4.271682 -1.372648 0.182531
C -4.401366 1.050909 -0.241047
C -7.088119 -1.238840 0.741247
H 1.991778 1.722506 1.617181
H 1.794308 -1.757411 -0.956160
H 4.437315 1.955173 1.113086
H 4.236016 -1.530876 -1.448402
H -2.315306 -2.250320 -0.042604
H -2.552649 2.012746 -0.778969
H -4.740024 -2.311804 0.457045
H -5.009972 1.952090 -0.282700
H -6.700831 -1.636614 1.683741
H -8.101363 -0.834947 0.871750
H -7.062495 -1.981697 -0.060930


%chk=000245727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245727

0 1
S -0.659976 -0.337368 -1.338354
O -6.486119 -0.110143 0.276946
O -0.313908 0.079105 1.369468
O 6.677687 0.588159 0.978353
O 6.593580 0.089336 -1.246484
N 6.034267 0.302067 -0.103031
C 1.758347 0.037851 0.114075
C -2.405840 -0.286530 -0.768754
C 2.515812 0.348466 1.277545
C 2.424830 -0.186030 -1.120139
C 4.551408 0.211117 -0.026206
C 3.917099 0.439295 1.214608
C 3.826911 -0.101492 -1.196978
C 0.267191 -0.036843 0.268729
C -2.891971 -1.205943 0.183285
C -3.276993 0.667416 -1.350059
C -5.123910 -0.227678 -0.020853
C -4.250549 -1.178434 0.566775
C -4.633906 0.693204 -0.982581
C -7.047818 -1.026402 1.274702
H 1.983394 0.515165 2.218773
H 1.854120 -0.428860 -2.021691
H 4.521391 0.678210 2.093356
H 4.364618 -0.270904 -2.133066
H -2.217207 -1.938036 0.636154
H -2.895093 1.386247 -2.081779
H -4.607986 -1.893430 1.312903
H -5.326311 1.419028 -1.418490
H -6.555440 -0.899093 2.258045
H -8.108927 -0.748885 1.351938
H -6.960206 -2.080195 0.946510


