%chk=000299242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299242

0 1
S 1.034054 0.873398 -0.812475
O -4.583676 -0.387504 0.339428
O 1.553153 -1.618327 -0.012614
N 3.369275 -0.215874 -0.140186
C -0.613543 0.401741 -0.439170
C -1.425412 1.373271 0.164014
C -1.107797 -0.860829 -0.777617
C 2.035009 -0.530478 -0.240269
C 3.906208 1.127156 -0.440478
C 4.339893 -1.266845 0.244868
C -2.765399 1.091274 0.412218
C -2.447875 -1.165744 -0.525736
C -3.255694 -0.180988 0.062059
H -1.017788 2.348270 0.439888
H -0.448861 -1.617644 -1.217356
H 4.987457 1.173185 -0.230612
H 3.416615 1.900066 0.182382
H 3.761413 1.388147 -1.505310
H 3.813677 -2.224228 0.434209
H 4.870723 -0.985134 1.169052
H 5.074233 -1.436348 -0.559324
H -3.431606 1.818339 0.870671
H -2.844252 -2.144183 -0.775984
H -4.881307 -1.297322 0.089042


%chk=000299242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299242

0 1
S 1.049111 1.015973 -0.906556
O -4.653092 -0.519553 0.435152
O 1.511038 -1.484888 0.235673
N 3.419187 -0.179001 -0.123958
C -0.652826 0.473430 -0.478889
C -1.462997 1.342149 0.291274
C -1.175890 -0.750026 -0.952307
C 2.060550 -0.424333 -0.152029
C 4.058734 1.068606 -0.570372
C 4.323237 -1.262847 0.312245
C -2.799097 0.998556 0.579346
C -2.507782 -1.107369 -0.654193
C -3.317070 -0.229672 0.108086
H -1.048772 2.283104 0.667059
H -0.545766 -1.425950 -1.535447
H 4.912262 1.294269 0.094097
H 3.351910 1.911603 -0.515607
H 4.434088 0.986018 -1.609032
H 3.719419 -2.144182 0.573433
H 4.904216 -0.944693 1.198304
H 5.027010 -1.528238 -0.499667
H -3.441632 1.657316 1.170247
H -2.908412 -2.063737 -1.014452
H -4.918926 -1.403133 0.078294


