%chk=000198773.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198773

0 1
S -1.584324 1.133601 -0.589145
O -5.049205 2.201112 0.487567
O 6.258562 1.151141 -0.783092
O 3.330747 -0.608094 0.161480
O -2.887092 -2.434359 -0.191801
N -2.750591 -0.167432 -0.570324
C -4.701882 0.785351 0.614519
C -6.133536 1.238716 0.682288
C -4.179420 0.137389 -0.657604
C 5.412577 0.417568 0.154621
C 6.367835 1.468792 0.642305
C 3.934477 0.717557 0.033818
C -2.195641 -1.442390 -0.283743
C -0.729492 -1.293148 -0.160580
C -0.250721 0.023114 -0.299271
C 1.973234 -0.721094 0.033033
C 1.093809 0.349733 -0.208313
C 0.172922 -2.341154 0.077954
C 1.529104 -2.058574 0.176499
H -4.158488 0.547273 1.536126
H -6.798635 1.135001 -0.171424
H -6.642999 1.324077 1.639825
H -4.375302 0.799430 -1.536812
H -4.726269 -0.826391 -0.841535
H 5.656476 -0.650935 0.242325
H 6.023919 2.466103 0.905994
H 7.317970 1.187876 1.093512
H 3.684448 1.141483 -0.958047
H 3.550719 1.356812 0.847591
H 1.437075 1.371279 -0.322021
H -0.201200 -3.363492 0.183134
H 2.262424 -2.842442 0.359221


%chk=000198773-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198773

0 1
S -1.625616 1.158668 -0.170479
O -4.660726 2.203598 0.740780
O 6.231858 0.557809 -0.822306
O 3.392446 -0.693286 0.173858
O -2.896050 -2.578800 -0.476998
N -2.786297 -0.235422 -0.337971
C -4.847783 0.697737 0.685255
C -6.026732 1.602130 0.508274
C -4.218398 0.012390 -0.512038
C 5.430115 0.532131 0.456361
C 6.325556 1.696787 0.161464
C 3.936077 0.668129 0.314992
C -2.204799 -1.519813 -0.358210
C -0.740470 -1.385306 -0.224065
C -0.269956 -0.057184 -0.120440
C 2.007095 -0.836228 0.041697
C 1.098326 0.251088 0.016294
C 0.187064 -2.455630 -0.197904
C 1.554782 -2.184351 -0.066161
H -4.692754 0.206812 1.654157
H -6.433349 1.763587 -0.498707
H -6.735299 1.730890 1.334705
H -4.397463 0.618010 -1.421797
H -4.666028 -0.989903 -0.661586
H 5.765069 -0.231146 1.169651
H 5.888993 2.641755 -0.188347
H 7.282115 1.782262 0.689927
H 3.692050 1.276857 -0.578585
H 3.502489 1.146540 1.219232
H 1.437260 1.287390 0.093607
H -0.189032 -3.480429 -0.281988
H 2.300958 -2.983172 -0.044575


