%chk=000242307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242307

0 1
S 2.181120 -0.437368 1.637886
O 0.469617 -1.617757 -0.280416
O -2.589321 -1.724910 -1.951205
O 2.434684 0.271263 2.868832
O 2.164480 -1.870444 1.578634
N 0.535351 0.086388 1.265739
N -0.360215 -2.062184 -1.366965
C -2.578398 0.537024 0.261217
C -3.795053 -0.227469 0.828099
C -3.009643 1.422231 -0.928531
C -4.901144 0.747507 1.250199
C -4.115427 2.398074 -0.508199
C -5.320708 1.651958 0.082336
C -1.511494 -0.421472 -0.160623
C -0.243413 -0.562495 0.336648
C -1.687577 -1.411011 -1.218301
C 3.106032 0.233361 0.361142
C 3.867989 1.387315 0.592664
C 3.116795 -0.371777 -0.901497
C 4.636262 1.934394 -0.436069
C 3.885512 0.177059 -1.931987
C 4.643858 1.328672 -1.699218
H -2.171871 1.199983 1.065324
H -3.486616 -0.853455 1.683466
H -4.181706 -0.926471 0.058466
H -3.369055 0.776338 -1.756369
H -2.139914 1.972474 -1.327669
H -4.556559 1.366494 2.099933
H -5.776669 0.181143 1.619464
H -4.436133 2.996730 -1.381330
H -3.722192 3.120876 0.231196
H -5.800007 1.039708 -0.706652
H -6.085794 2.374778 0.419102
H 0.068794 0.814619 1.828841
H -0.306616 -3.082764 -1.336004
H 3.866096 1.858683 1.583055
H 2.519215 -1.275498 -1.089937
H 5.229683 2.830585 -0.256833
H 3.889426 -0.293510 -2.915646
H 5.244014 1.757732 -2.503993


%chk=000242307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242307

0 1
S 1.501002 0.610786 1.059483
O 0.287870 -0.343125 -2.115730
O -3.105927 -1.498240 -2.322796
O 1.510136 1.843202 2.127428
O 0.892901 -0.857243 1.423560
N 0.450994 1.382696 -0.534823
N -0.784495 -1.153903 -2.639878
C -2.742715 0.760032 -0.105280
C -3.285140 -0.333456 0.870501
C -3.921223 1.443960 -0.864627
C -4.319805 0.264988 1.851068
C -4.949874 2.035177 0.126653
C -5.482393 0.956921 1.100083
C -1.734803 0.175613 -1.054383
C -0.382033 0.471248 -1.140988
C -2.031881 -0.890501 -2.039812
C 3.232462 0.391339 0.362236
C 4.099202 1.494430 0.416924
C 3.577966 -0.865956 -0.158141
C 5.405966 1.317217 -0.092851
C 4.890238 -1.018717 -0.662194
C 5.795709 0.068308 -0.632416
H -2.241930 1.536605 0.515646
H -2.438831 -0.782922 1.423794
H -3.754720 -1.136168 0.270427
H -4.408637 0.687677 -1.509048
H -3.527402 2.237014 -1.529915
H -3.818371 1.004108 2.510293
H -4.709499 -0.535818 2.508628
H -5.787005 2.491432 -0.436240
H -4.474007 2.850584 0.711207
H -6.049006 0.196371 0.525271
H -6.188692 1.409566 1.822640
H -0.061610 2.138362 -0.042169
H -0.486867 -1.884157 -3.286231
H 3.772033 2.441840 0.856215
H 2.858442 -1.690555 -0.154003
H 6.113946 2.151738 -0.065955
H 5.201506 -1.984015 -1.074186
H 6.809892 -0.059633 -1.025593


