%chk=000235620.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235620

0 1
S -8.336706 2.190551 -0.257118
O -7.452621 -2.723433 0.337983
O -8.456855 2.269898 -1.939375
O -9.672734 1.850270 0.157202
O -7.723768 3.418606 0.161994
O -0.433151 -2.727195 0.208629
O 5.230516 1.984004 -0.338643
N -1.272078 -0.579979 0.028486
N 6.093945 -0.125228 0.052881
N 11.657210 0.887492 0.146946
C -4.953622 0.009653 -0.014788
C -5.452607 -1.309305 0.145760
C -5.875817 1.102173 -0.136434
C -3.546027 0.225370 -0.052329
C -7.227975 0.871003 -0.098256
C -2.673982 -0.846702 0.066452
C -6.877740 -1.488395 0.182596
C -4.529742 -2.392800 0.264088
C -7.759758 -0.429417 0.065931
C -3.178116 -2.179736 0.226878
C 1.132538 -0.912813 0.045231
C -0.231759 -1.536319 0.108233
C 3.691100 0.167025 -0.068164
C 1.600519 -0.131367 1.108926
C 1.937974 -1.160018 -1.073328
C 2.886508 0.412350 1.051007
C 3.223622 -0.614721 -1.130728
C 5.058418 0.797942 -0.138863
C 7.500036 0.174915 0.046002
C 7.992103 1.479800 -0.136566
C 8.394316 -0.898698 0.230829
C 10.264073 0.637857 0.048475
C 9.364151 1.708886 -0.137695
C 9.766721 -0.670746 0.229415
H -5.473705 2.114278 -0.253152
H -3.183229 1.244548 -0.176476
H -4.925263 -3.404428 0.385871
H -8.839047 -0.603963 0.108612
H -2.472239 -3.016177 0.317132
H -1.010065 0.405753 -0.085859
H 0.971707 0.047631 1.982439
H 1.567053 -1.779530 -1.892342
H 3.259077 1.031931 1.869714
H 3.854282 -0.792500 -2.003605
H -6.775567 -3.446342 0.418502
H 5.853609 -1.102452 0.232339
H -9.331882 2.490942 -2.292016
H 7.299662 2.318546 -0.278777
H 8.023261 -1.911897 0.376693
H 9.737679 2.722616 -0.269850
H 10.451974 -1.501343 0.382334
H 11.983589 1.736272 -0.293738
H 12.260614 0.104691 -0.061780


%chk=000235620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235620

0 1
S -8.467137 2.268021 -0.019426
O -7.581139 -2.833710 0.111489
O -8.700734 2.307970 -1.863914
O -9.882043 1.872788 0.658334
O -7.687540 3.611675 0.432483
O -0.409399 -2.792558 -0.082103
O 5.245708 2.055046 0.120504
N -1.337872 -0.634214 -0.010903
N 6.199485 -0.091041 0.040060
N 11.797269 0.877993 -0.063557
C -5.032964 -0.027723 0.000466
C -5.558311 -1.378688 0.040963
C -5.934228 1.086331 -0.026926
C -3.619967 0.170722 -0.015772
C -7.292906 0.811244 -0.007897
C -2.728093 -0.913875 0.005855
C -6.990058 -1.569412 0.063374
C -4.623117 -2.462175 0.063573
C -7.866390 -0.479693 0.035507
C -3.245654 -2.254827 0.045703
C 1.102322 -0.899187 0.015021
C -0.262953 -1.532725 -0.022902
C 3.758932 0.142040 0.039703
C 1.360476 0.414217 0.493662
C 2.190210 -1.685412 -0.443153
C 2.670191 0.926989 0.498956
C 3.499724 -1.171331 -0.438121
C 5.123741 0.788087 0.064355
C 7.593715 0.210550 0.018236
C 8.110697 1.533985 -0.022212
C 8.503465 -0.880325 0.033912
C 10.419512 0.655958 -0.035916
C 9.500523 1.744927 -0.049748
C 9.891763 -0.667698 0.007450
H -5.565642 2.116475 -0.047456
H -3.240324 1.200051 -0.046174
H -4.968811 -3.504421 0.091816
H -8.947929 -0.632076 0.065526
H -2.542940 -3.089105 0.053821
H -1.094865 0.357705 -0.059198
H 0.557518 1.037649 0.906753
H 1.979853 -2.697343 -0.803214
H 2.884042 1.939822 0.854132
H 4.304098 -1.793289 -0.849458
H -6.909850 -3.558890 0.139171
H 5.977004 -1.087639 0.086081
H -9.407372 2.990365 -2.059885
H 7.416986 2.376408 -0.026259
H 8.123192 -1.910249 0.066677
H 9.882017 2.772871 -0.080774
H 10.572655 -1.527094 0.019921
H 12.170772 1.821948 -0.091444
H 12.452568 0.102364 -0.049394


