%chk=000273048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273048

0 1
S -2.438476 -1.788233 0.778158
O -1.425313 -1.375187 1.735170
O -3.718255 -2.271380 1.272077
N -1.789686 -3.085104 -0.160026
C -1.716154 0.049984 -1.127892
C -2.737432 -0.526569 -0.360118
C 0.693202 0.104451 -0.464617
C -0.342230 -0.478257 -1.085909
C 2.034927 -0.531468 -0.460655
C 0.596641 1.383056 0.281099
C -2.014021 1.121447 -1.991962
C -4.050587 -0.043822 -0.473136
C -3.319488 1.597506 -2.090017
C -4.345255 1.010660 -1.334544
C 2.746989 -0.696660 -1.657527
C 1.155114 2.550427 -0.260680
C 2.586429 -0.972361 0.752474
C -0.037243 1.418285 1.531418
C 4.007950 -1.299676 -1.637792
C 1.068915 3.752451 0.446714
C 3.844752 -1.578383 0.763224
C -0.115380 2.623411 2.233583
C -0.483774 -3.625049 0.289842
C 4.556990 -1.741812 -0.430078
C 0.434564 3.790496 1.692973
H -0.220744 -1.430657 -1.619646
H -1.214807 1.577880 -2.574068
H -4.851340 -0.501734 0.123216
H -3.546839 2.430466 -2.757023
H -5.365029 1.381285 -1.417975
H -2.446090 -3.847918 -0.378408
H 2.319693 -0.353010 -2.597510
H 1.656576 2.517601 -1.225542
H 2.028880 -0.838071 1.681340
H -0.469525 0.499104 1.952179
H 4.563192 -1.424559 -2.565877
H 1.499544 4.659797 0.027862
H 4.272835 -1.920984 1.704229
H -0.607160 2.650623 3.204939
H -0.557060 -4.294666 1.162846
H 0.207183 -2.802122 0.561586
H -0.018597 -4.185716 -0.539159
H 5.538885 -2.211085 -0.417590
H 0.370727 4.727456 2.242422


%chk=000273048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273048

0 1
S -2.689731 -2.304003 0.520903
O -1.710086 -2.086685 1.804488
O -4.200305 -2.894145 0.724099
N -1.719986 -3.411958 -0.679366
C -1.699105 0.074827 -0.779186
C -2.851459 -0.686909 -0.454794
C 0.794341 0.262422 -0.228083
C -0.324550 -0.441143 -0.616077
C 2.140293 -0.372201 -0.356128
C 0.709381 1.621687 0.393566
C -1.962762 1.334593 -1.398132
C -4.174647 -0.289343 -0.704378
C -3.276922 1.768492 -1.662354
C -4.389362 0.960380 -1.325091
C 2.422602 -1.280612 -1.417104
C 1.557511 2.680606 -0.032459
C 3.173596 -0.096085 0.583164
C -0.209939 1.866213 1.450910
C 3.682558 -1.905445 -1.521557
C 1.464627 3.959587 0.558410
C 4.433727 -0.722258 0.479408
C -0.295405 3.142148 2.047421
C -0.826875 -4.357893 0.043625
C 4.695106 -1.631805 -0.571784
C 0.535743 4.196055 1.599499
H -0.213498 -1.502852 -0.873141
H -1.109596 1.956201 -1.685914
H -5.001888 -0.939717 -0.400848
H -3.435936 2.739946 -2.142940
H -5.409059 1.297931 -1.535799
H -2.464490 -3.891301 -1.222743
H 1.656356 -1.473811 -2.176595
H 2.282935 2.499199 -0.833833
H 2.977339 0.597812 1.407410
H -0.836462 1.042999 1.812050
H 3.881068 -2.593929 -2.350814
H 2.116967 4.768585 0.210775
H 5.210331 -0.504071 1.220985
H -1.003151 3.311744 2.866483
H -1.348893 -5.193930 0.548457
H -0.255512 -3.791081 0.798132
H -0.114840 -4.761404 -0.698991
H 5.675599 -2.113786 -0.654869
H 0.467885 5.186841 2.062797


