%chk=000236541.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236541

0 1
S -0.756939 -1.316271 0.070433
O -1.200820 -1.853112 -1.187650
O -0.947725 -2.095007 1.262163
O -0.824299 2.502825 0.386601
N -1.466681 0.265717 0.306815
C 0.852636 -0.664578 -0.032469
C 0.836230 0.742830 0.090468
C -0.544597 1.332683 0.272316
C -2.932440 0.490411 0.386262
C 2.041810 -1.342302 -0.204911
C 2.008025 1.477563 0.040883
C -3.600999 0.296751 -0.970003
C 3.242689 -0.600735 -0.257494
C 3.224949 0.785375 -0.136496
H -3.350464 -0.213424 1.142937
H -3.116431 1.525446 0.765524
H 2.071678 -2.429823 -0.300518
H 1.988960 2.565646 0.136820
H -3.276937 1.054187 -1.695262
H -3.369430 -0.683698 -1.415912
H -4.691400 0.367787 -0.884963
H 4.188651 -1.126544 -0.394266
H 4.158036 1.350972 -0.177981


%chk=000236541-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236541

0 1
S -0.769359 -1.450649 0.056840
O -1.199186 -2.134882 -1.349772
O -1.044868 -2.274652 1.425583
O -0.814391 2.536975 0.279999
N -1.495095 0.292030 0.219474
C 0.944636 -0.667499 -0.023769
C 0.839842 0.731355 0.048607
C -0.542345 1.305705 0.188130
C -2.948790 0.462652 0.377402
C 2.148352 -1.365410 -0.148809
C 2.021104 1.498649 -0.006021
C -3.708547 0.418546 -0.963745
C 3.329129 -0.580205 -0.201139
C 3.262938 0.833527 -0.130818
H -3.312641 -0.320755 1.069265
H -3.083782 1.440979 0.875262
H 2.187348 -2.457081 -0.203578
H 1.945909 2.589265 0.050661
H -3.359892 1.222470 -1.634029
H -3.563572 -0.550097 -1.471834
H -4.789314 0.560719 -0.783244
H 4.299717 -1.077174 -0.297459
H 4.187309 1.418230 -0.173707


