%chk=000198572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198572

0 1
S -1.943502 -1.216244 0.168958
S -4.756991 -2.340628 0.446205
O 5.861416 -1.068791 0.156400
O -0.259804 2.148022 -0.954973
N 3.217003 0.016135 0.097589
N -4.067193 0.140821 -0.421939
C 3.650191 -1.021931 -0.895380
C 4.391754 0.864466 0.487970
C 2.107970 0.861457 -0.450750
C 4.746646 -1.886901 -0.253668
C 5.471973 -0.045099 1.095023
C 0.776974 0.122687 -0.226304
C -0.403336 1.002570 -0.568478
C -1.729120 0.403609 -0.411403
C -2.958029 0.983631 -0.676187
C -3.216016 2.345883 -1.180716
C -3.696413 -1.044174 0.024719
C -6.399835 -1.677772 0.136107
H 4.026491 -0.582268 -1.844504
H 2.772789 -1.652829 -1.149649
H 4.053992 1.602578 1.246661
H 4.816804 1.435495 -0.365367
H 2.226623 1.114841 -1.526217
H 2.073987 1.835740 0.088817
H 4.368884 -2.443418 0.622125
H 5.212727 -2.577172 -0.977846
H 6.420980 0.491300 1.268089
H 5.124848 -0.526142 2.026528
H 0.752669 -0.812283 -0.822389
H 0.722535 -0.206802 0.836534
H -3.751888 2.326519 -2.143631
H -3.845121 2.923378 -0.483752
H -2.273826 2.911832 -1.330754
H -6.533551 -1.385317 -0.915515
H -6.606131 -0.787453 0.747798
H -7.134701 -2.455038 0.383598


%chk=000198572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198572

0 1
S -1.943992 -1.377001 0.092565
S -4.861715 -2.475806 0.279106
O 5.969214 -1.076114 0.077388
O -0.262691 2.213158 -0.822026
N 3.284360 0.051267 0.121992
N -4.106300 0.102961 -0.428688
C 3.623817 -1.106640 -0.746657
C 4.489036 0.900013 0.328631
C 2.137222 0.843804 -0.386097
C 4.776616 -1.914077 -0.126878
C 5.623714 0.065035 0.941915
C 0.802052 0.099924 -0.210097
C -0.409941 0.989038 -0.505260
C -1.750668 0.380856 -0.399553
C -3.012682 0.958608 -0.622587
C -3.296658 2.373799 -1.042401
C -3.743307 -1.117921 -0.063448
C -6.503213 -1.602229 -0.034972
H 3.920031 -0.768819 -1.772740
H 2.741461 -1.765729 -0.846841
H 4.228513 1.727928 1.014998
H 4.846365 1.348785 -0.632645
H 2.267177 1.136343 -1.457079
H 2.087808 1.786147 0.188092
H 4.447581 -2.340690 0.845518
H 5.099110 -2.726741 -0.798728
H 6.549504 0.656717 1.033788
H 5.313669 -0.304523 1.943292
H 0.747397 -0.797023 -0.859759
H 0.737203 -0.273856 0.832474
H -3.858346 2.373807 -1.994764
H -3.940992 2.863341 -0.289125
H -2.365559 2.943492 -1.160110
H -6.536958 -1.252675 -1.075648
H -6.601083 -0.752218 0.653686
H -7.275948 -2.362260 0.156356


