%chk=000236981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236981

0 1
S -1.397617 -0.994854 0.020235
O 4.829342 0.223518 -0.010280
O 4.012338 -1.858015 0.021370
N -0.025736 1.300712 -0.014950
C -4.038761 -0.562218 0.020400
C -5.254577 0.379887 0.009748
C -2.743092 0.236027 0.005767
C -6.566106 -0.400503 0.024123
C 0.077489 -0.049282 0.003847
C 1.305380 -0.738922 0.010996
C 2.471701 0.031570 -0.002299
C 2.394399 1.432268 -0.021868
C 1.123919 2.027600 -0.027589
C 3.782754 -0.671815 0.004874
H -4.093141 -1.242444 -0.854939
H -4.088868 -1.216927 0.915228
H -5.213167 1.058880 0.884308
H -5.217395 1.033425 -0.884182
H -2.656717 0.880746 -0.890316
H -2.652473 0.906322 0.882462
H -7.428555 0.276147 0.016165
H -6.653716 -1.030584 0.916925
H -6.657711 -1.056427 -0.849461
H 1.353006 -1.831560 0.026300
H 3.303554 2.036125 -0.032287
H 1.003137 3.117773 -0.042690
H 5.715213 -0.234146 -0.005685


%chk=000236981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236981

0 1
S -1.363371 -1.188721 0.019745
O 4.928385 0.321922 -0.008645
O 4.075039 -1.840310 0.019892
N -0.040295 1.229570 -0.014665
C -4.105951 -0.606696 0.020714
C -5.278281 0.404416 0.009093
C -2.744634 0.109467 0.004499
C -6.655921 -0.292973 0.025144
C 0.115758 -0.124077 0.003054
C 1.388887 -0.753179 0.009384
C 2.538872 0.063512 -0.002986
C 2.393642 1.477325 -0.021251
C 1.086980 2.002335 -0.026401
C 3.874447 -0.603109 0.003725
H -4.190685 -1.275907 -0.858642
H -4.184190 -1.247897 0.921281
H -5.191841 1.076748 0.886511
H -5.198354 1.048791 -0.889646
H -2.606033 0.724959 -0.898872
H -2.599362 0.752898 0.887110
H -7.479049 0.444804 0.016819
H -6.772571 -0.920573 0.928760
H -6.779376 -0.948303 -0.857639
H 1.494170 -1.842247 0.023455
H 3.269696 2.128692 -0.030942
H 0.916847 3.084398 -0.040420
H 5.791790 -0.172544 -0.002875


