%chk=000189468.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189468

0 1
S 4.402476 0.796717 -0.108216
O -1.378156 -2.468607 0.138454
O -3.893052 -2.070092 0.052531
O -4.706648 -0.002742 -0.196458
N -0.815076 1.574131 -0.362022
C 0.330765 0.734113 -0.209537
C 0.132636 -0.660969 -0.042285
C -0.670983 3.058988 -0.470279
C 1.630745 1.281368 -0.240136
C 2.526863 -0.994373 0.059503
C 1.235413 -1.518621 0.090178
C 2.695713 0.407570 -0.106575
C -2.086306 1.042554 -0.288893
C -1.232923 -1.272832 0.001899
C -2.326673 -0.301135 -0.130879
C 3.798119 -1.699002 0.178584
C -0.596015 3.708977 0.905037
C 4.874367 -0.888410 0.108882
C -3.726567 -0.723369 -0.100845
H 0.241083 3.291719 -1.070235
H -1.532297 3.463943 -1.051351
H 1.798834 2.348955 -0.365168
H 1.059174 -2.594120 0.216539
H -2.935389 1.748033 -0.379362
H 3.825903 -2.774637 0.309589
H -1.508224 3.542356 1.493860
H 0.240841 3.319630 1.502307
H -0.458253 4.795076 0.821415
H 5.919056 -1.144953 0.167601
H -4.859526 -2.321970 0.068363


%chk=000189468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189468

0 1
S 4.464749 0.899265 -0.099321
O -1.340402 -2.590316 0.162316
O -4.075860 -2.072252 0.010187
O -4.721189 0.129632 -0.274603
N -0.839865 1.546415 -0.327596
C 0.314093 0.728186 -0.190151
C 0.129196 -0.689147 -0.026503
C -0.729388 3.027950 -0.446827
C 1.619476 1.286479 -0.219129
C 2.562882 -0.995962 0.073335
C 1.256782 -1.526761 0.102213
C 2.715480 0.422568 -0.090154
C -2.086904 0.980332 -0.294264
C -1.231242 -1.331373 0.011776
C -2.348178 -0.380868 -0.136901
C 3.837369 -1.683154 0.188401
C -0.497607 3.724064 0.910460
C 4.923706 -0.843724 0.117726
C -3.791747 -0.719647 -0.142383
H 0.076859 3.267036 -1.162478
H -1.669604 3.388338 -0.897373
H 1.778222 2.360675 -0.336217
H 1.068490 -2.599212 0.223056
H -2.939589 1.658983 -0.403066
H 3.925600 -2.764283 0.318089
H -1.337593 3.526275 1.598358
H 0.430259 3.377703 1.395651
H -0.423097 4.816214 0.762754
H 5.982750 -1.089929 0.174248
H -5.067747 -2.175187 -0.009104


