%chk=000183791.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183791

0 1
S -4.269191 -1.152347 -1.099726
O 2.207088 1.237038 -2.104042
O -6.496951 0.154720 1.788648
O -6.515000 -2.038867 -2.261345
N 1.847357 0.952690 0.156690
N -6.708463 -0.960241 -0.203768
C 4.147952 0.993833 -0.692640
C 4.885501 2.324535 -0.537165
C 5.079733 1.510793 -1.790705
C 4.546329 -0.204472 0.099678
C 2.659823 1.069375 -0.989719
C 4.561124 -1.463205 -0.520991
C 4.889442 -0.087842 1.454517
C 0.418048 0.984746 0.181623
C 4.918949 -2.596746 0.212670
C 5.247774 -1.226380 2.181955
C 5.262274 -2.480666 1.563978
C -0.212578 0.815135 1.433756
C -0.356466 1.184307 -0.974807
C -2.381564 1.045371 0.363555
C -3.881572 1.080328 0.465432
C -1.602659 0.848101 1.514429
C -1.746554 1.213264 -0.875812
C -4.464384 -0.327938 0.521995
C -5.953178 -0.315319 0.820418
C -6.023939 -1.481785 -1.327946
H 4.318733 3.254485 -0.579058
H 5.693847 2.398691 0.189294
H 6.021957 0.994255 -1.966487
H 4.634937 1.845905 -2.731462
H 4.293633 -1.552555 -1.574240
H 4.887041 0.886987 1.938359
H 2.304184 0.783378 1.058094
H 4.930189 -3.573539 -0.270093
H 5.518220 -1.134948 3.233072
H 5.541349 -3.365889 2.133025
H 0.374701 0.659609 2.335693
H 0.126992 1.314596 -1.950433
H -4.319670 1.658366 -0.377539
H -4.190043 1.641276 1.380058
H -3.935358 -0.939999 1.298709
H -2.084740 0.721692 2.483849
H -2.339802 1.368214 -1.778805
H -7.728868 -1.032353 -0.124514


%chk=000183791-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183791

0 1
S -4.559071 -0.367096 -1.703423
O 2.214963 2.070110 -1.826358
O -6.405368 -0.673947 1.836916
O -7.103889 -0.412130 -2.799584
N 1.869419 0.596423 -0.029051
N -6.914423 -0.562175 -0.452328
C 4.154985 0.940139 -0.874094
C 5.068627 2.126852 -1.271287
C 4.877632 0.972717 -2.244307
C 4.621052 -0.028410 0.184781
C 2.666023 1.258384 -0.959974
C 4.681086 -1.421942 -0.084060
C 4.963632 0.429736 1.485196
C 0.461660 0.673405 0.150211
C 5.078921 -2.334614 0.918847
C 5.361433 -0.480727 2.489996
C 5.419232 -1.866475 2.209960
C -0.106890 -0.107853 1.193913
C -0.385418 1.485933 -0.650055
C -2.353162 0.723090 0.636046
C -3.853468 0.719718 0.879760
C -1.493414 -0.080487 1.429201
C -1.773012 1.499599 -0.397244
C -4.569686 -0.480127 0.200363
C -6.037023 -0.588208 0.640274
C -6.411939 -0.449899 -1.767652
H 4.561649 3.066171 -1.507038
H 6.024881 2.209191 -0.746715
H 5.704381 0.270191 -2.383770
H 4.245474 1.156403 -3.116980
H 4.422597 -1.783298 -1.086424
H 4.924922 1.504350 1.699408
H 2.369775 -0.029372 0.609904
H 5.125546 -3.406145 0.694660
H 5.628272 -0.111728 3.486632
H 5.731259 -2.572709 2.987308
H 0.541261 -0.731129 1.823274
H 0.052028 2.089924 -1.446579
H -4.314910 1.657533 0.521449
H -4.071555 0.633897 1.961954
H -4.055770 -1.419212 0.469010
H -1.910889 -0.681124 2.247173
H -2.417333 2.129496 -1.022051
H -7.927293 -0.617854 -0.309062


