%chk=000277548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277548

0 1
S -3.536251 -1.624720 0.167955
S 3.536443 1.624672 0.168885
O -4.453002 -2.634940 -0.320495
O -2.813101 -1.815425 1.403962
O 4.453221 2.635080 -0.319128
O 2.813356 1.814851 1.405010
N -2.407073 -1.483197 -1.124231
N 2.407234 1.483760 -1.123355
C -1.189262 -0.747885 -1.083532
C 1.189413 0.748416 -1.083065
C -4.320875 -0.088569 0.196372
C 4.321040 0.088494 0.196600
C -0.583244 -0.380304 0.132095
C 0.583262 0.380259 0.132335
C -0.589635 -0.367738 -2.304031
C 0.589894 0.368846 -2.303800
C -5.528158 0.081789 -0.490942
C 5.528295 -0.081582 -0.490832
C -3.762673 0.978060 0.908141
C 3.762844 -0.978439 0.907918
C -6.172650 1.321403 -0.474644
C 6.172765 -1.321215 -0.475104
C -4.405651 2.219645 0.924234
C 4.405799 -2.220043 0.923440
C -5.608915 2.390468 0.231612
C 5.609036 -2.390581 0.230700
H -2.561454 -2.029304 -1.980059
H 2.561647 2.030240 -1.978939
H -1.002639 -0.705094 1.092230
H 1.002515 0.704621 1.092680
H -1.047325 -0.648080 -3.250796
H 1.047671 0.649638 -3.250388
H -5.974791 -0.758585 -1.035094
H 5.974923 0.759022 -1.034630
H -2.825665 0.846672 1.460585
H 2.825857 -0.847280 1.460454
H -7.112616 1.454158 -1.008440
H 7.112709 -1.453752 -1.008993
H -3.968708 3.051027 1.476731
H 3.968862 -3.051660 1.475586
H -6.110712 3.359213 0.243665
H 6.110816 -3.359342 0.242308


%chk=000277548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277548

0 1
S -3.734392 -1.581755 0.817220
S 3.734384 1.581410 0.817959
O -4.692398 -2.800628 0.329024
O -3.430578 -1.254123 2.375972
O 4.692382 2.800540 0.330396
O 3.430435 1.253067 2.376534
N -1.978357 -2.032398 0.017633
N 1.978425 2.032312 0.018420
C -1.015637 -0.998352 -0.018362
C 1.015694 0.998290 -0.017972
C -4.353187 0.019225 0.007748
C 4.353331 -0.019175 0.007822
C -0.489340 -0.501548 1.214606
C 0.489324 0.501081 1.214801
C -0.519229 -0.472220 -1.248603
C 0.519354 0.472570 -1.248417
C -5.195477 -0.099929 -1.110796
C 5.195850 0.100531 -1.110492
C -3.950679 1.244176 0.566133
C 3.950694 -1.244403 0.565508
C -5.658868 1.095299 -1.707776
C 5.659350 -1.094402 -1.707976
C -4.420788 2.426648 -0.051776
C 4.420914 -2.426569 -0.052901
C -5.266869 2.350567 -1.183388
C 5.267230 -2.349930 -1.184300
H -2.242640 -2.412795 -0.910297
H 2.242745 2.413046 -0.909360
H -0.873444 -0.910968 2.153793
H 0.873373 0.910189 2.154145
H -0.929376 -0.834232 -2.199619
H 0.929555 0.834899 -2.199289
H -5.501430 -1.086365 -1.474903
H 5.501884 1.087147 -1.474043
H -3.318590 1.272150 1.459050
H 3.318422 -1.272822 1.458281
H -6.327756 1.044124 -2.573106
H 6.328415 -1.042801 -2.573144
H -4.129813 3.400185 0.355569
H 4.129842 -3.400308 0.353895
H -5.630531 3.271397 -1.651844
H 5.630978 -3.270529 -1.653144


