%chk=000224950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224950

0 1
S -1.883058 -1.023853 0.514883
S 1.883407 0.997994 0.570321
O -1.366081 -1.906250 -0.520947
O -2.199044 -1.596396 1.811215
O 1.366331 1.935693 -0.415682
O 2.199559 1.498832 1.895977
N -5.753184 -0.025779 0.005123
N 5.752972 0.026650 0.008779
C -6.890217 -0.289094 0.949456
C -6.189872 -0.180823 -1.422202
C 6.192894 0.261554 -1.406583
C 6.888422 0.233926 0.968829
C -4.588189 -0.919083 0.313523
C 4.588665 0.902904 0.364917
C -8.035217 0.699660 0.673472
C -7.323858 0.810608 -1.731739
C 7.325875 -0.712759 -1.769550
C 8.032346 -0.739636 0.639515
C -8.509920 0.604620 -0.781606
C 8.510269 -0.563090 -0.806878
C -3.299791 -0.196734 -0.113216
C 3.300023 0.206418 -0.102211
C -0.697725 0.277966 0.754883
C 0.697986 -0.314918 0.739031
H -7.267768 -1.332280 0.885940
H -6.513743 -0.138667 1.985190
H -5.316244 0.039302 -2.072622
H -6.518218 -1.216135 -1.659285
H 6.523471 1.308050 -1.583951
H 5.320252 0.080197 -2.070156
H 6.509491 0.025668 1.993595
H 7.267865 1.278354 0.965358
H -4.653628 -1.912385 -0.183456
H -4.554201 -1.116848 1.413473
H 4.655522 1.921942 -0.076678
H 4.553707 1.040099 1.474008
H -8.871288 0.502225 1.368493
H -7.687849 1.731173 0.884705
H -6.943513 1.847101 -1.631897
H -7.643563 0.693656 -2.782881
H 7.647996 -0.536972 -2.811724
H 6.943591 -1.752563 -1.729406
H 7.682817 -1.780843 0.791219
H 8.867283 -0.583420 1.346288
H -8.981114 -0.379154 -0.966330
H -9.291654 1.361501 -0.977763
H 8.983489 0.428735 -0.934572
H 9.291154 -1.309022 -1.044065
H -3.381561 0.862457 0.218317
H -3.271512 -0.115160 -1.220383
H 3.380972 -0.869734 0.169531
H 3.272363 0.186896 -1.212224
H -0.790069 1.072354 -0.025314
H -0.879640 0.813255 1.713694
H 0.879606 -0.901337 1.667514
H 0.790597 -1.065855 -0.083026


%chk=000224950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224950

0 1
S -1.203742 -1.499240 2.942096
S 1.240575 1.294060 3.115119
O 0.227682 -1.824100 2.178568
O -2.072629 -2.734231 3.569972
O -0.176081 1.699530 2.362653
O 2.098020 2.453100 3.886955
N -2.985393 -0.232256 -0.596229
N 3.000362 0.287822 -0.514340
C -3.883419 -0.856100 -1.602023
C -1.997047 0.692965 -1.209040
C 1.976155 -0.569944 -1.164454
C 3.899452 0.946937 -1.495444
C -2.369888 -1.188285 0.349656
C 2.429219 1.195182 0.504685
C -4.639948 0.224504 -2.401747
C -2.702932 1.810570 -2.001052
C 2.636918 -1.656836 -2.033844
C 4.613009 -0.103896 -2.371181
C -3.650801 1.210857 -3.064259
C 3.587586 -1.022886 -3.074270
C -2.318737 -0.485497 1.714475
C 2.377589 0.396482 1.815861
C -0.745924 -0.278836 4.434029
C 0.748282 -0.073506 4.463349
H -3.305473 -1.501274 -2.314303
H -4.600137 -1.509541 -1.070932
H -1.371506 1.132177 -0.409774
H -1.310516 0.130339 -1.896356
H 1.295422 0.053483 -1.803575
H 1.350774 -1.040699 -0.383270
H 4.642393 1.547919 -0.938907
H 3.328970 1.649244 -2.158252
H -1.346822 -1.504855 0.041610
H -2.993096 -2.097347 0.416785
H 1.411479 1.562326 0.237200
H 3.081395 2.078125 0.622369
H -5.276806 -0.264334 -3.163756
H -5.305322 0.776487 -1.710295
H -3.281913 2.436978 -1.295854
H -1.941711 2.458464 -2.476369
H 1.850231 -2.252961 -2.534816
H 3.206208 -2.341456 -1.376329
H 5.273558 -0.713606 -1.724841
H 5.251449 0.412485 -3.113473
H -3.052433 0.672942 -3.829089
H -4.200275 2.013511 -3.590963
H 2.994738 -0.426365 -3.798888
H 4.107771 -1.808609 -3.653719
H -3.294614 -0.442546 2.221734
H -1.808771 0.491111 1.686501
H 3.349260 0.323108 2.327642
H 1.875965 -0.578849 1.706951
H -1.311656 0.645870 4.232081
H -1.130551 -0.826969 5.309515
H 1.109270 0.382054 5.399814
H 1.321613 -0.972607 4.182923


