%chk=000285214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285214

0 1
S -0.325572 -0.203363 1.869233
S -3.754699 -0.229456 2.326741
P -2.260981 -0.192464 1.133066
O -2.170859 1.102861 0.111313
O -2.094583 -1.456955 0.083449
N 3.000247 -0.246103 -0.404581
C 4.422956 0.182836 -0.181335
C 5.140698 -0.688215 0.873322
C 4.436220 1.657260 0.257508
C 5.138477 0.034476 -1.540117
C 2.136681 -0.269088 0.814123
C 0.688781 -0.185707 0.331101
C -3.359176 1.935817 -0.067412
C -3.306540 -2.031570 -0.497859
C -2.916373 2.923641 -1.131159
C -2.767353 -3.163018 -1.353844
H 2.970443 -1.162972 -0.862377
H 2.382171 0.609589 1.456260
H 2.298451 -1.177109 1.437269
H 5.100568 -1.751359 0.620590
H 6.198269 -0.415551 0.953364
H 4.705628 -0.567059 1.869581
H 3.965559 1.799260 1.236331
H 3.882383 2.279153 -0.457837
H 5.456660 2.045366 0.320218
H 4.598594 0.575605 -2.327977
H 6.152507 0.443733 -1.497565
H 5.219832 -1.009759 -1.855076
H 0.510409 0.745347 -0.246087
H 0.417130 -1.035311 -0.325489
H -4.209817 1.315655 -0.402550
H -3.597153 2.434747 0.892329
H -3.966403 -2.402354 0.311199
H -3.820609 -1.262401 -1.102363
H -3.700840 3.656603 -1.348969
H -2.017534 3.469873 -0.810227
H -2.650881 2.412516 -2.066209
H -3.576516 -3.720406 -1.838280
H -2.092485 -2.786047 -2.133950
H -2.181586 -3.868673 -0.747236


%chk=000285214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285214

0 1
S -0.468287 -0.907834 2.147716
S -4.107536 -0.294982 2.228804
P -2.428353 -0.588352 1.062584
O -2.094432 0.663453 -0.119729
O -2.375551 -1.929403 -0.035227
N 2.945883 -0.426632 -0.157312
C 4.186537 0.417026 -0.184589
C 5.091119 0.190296 1.064217
C 3.791509 1.911950 -0.284847
C 4.956116 0.008150 -1.464628
C 2.039677 -0.320760 1.005747
C 0.694091 -0.962801 0.625137
C -2.264947 2.081921 0.304445
C -3.527462 -2.096929 -0.977031
C -1.955167 2.933855 -0.923359
C -3.272342 -3.403503 -1.721194
H 3.177002 -1.410469 -0.359295
H 1.872179 0.745859 1.234873
H 2.435269 -0.794650 1.936747
H 5.406095 -0.868545 1.133743
H 6.002667 0.814350 1.010393
H 4.559415 0.453058 1.997284
H 3.289447 2.270487 0.632476
H 3.109150 2.065825 -1.139058
H 4.692303 2.534889 -0.432591
H 4.324972 0.166962 -2.356599
H 5.879844 0.604084 -1.571390
H 5.245792 -1.060603 -1.430393
H 0.211464 -0.404526 -0.191771
H 0.797132 -2.021803 0.339904
H -3.302214 2.226076 0.661857
H -1.566838 2.295077 1.137805
H -4.464594 -2.130811 -0.388694
H -3.553401 -1.227354 -1.659610
H -2.062586 4.005102 -0.670928
H -0.923672 2.758264 -1.273478
H -2.649846 2.698173 -1.747391
H -4.090625 -3.588407 -2.441822
H -2.320972 -3.356390 -2.277785
H -3.226134 -4.250702 -1.016510


