%chk=000272572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272572

0 1
S 1.092028 -3.537029 -0.233930
S 4.617793 0.320062 1.540392
O -1.678842 2.475873 -1.409922
O -4.037991 -1.811924 0.700403
O 1.273440 -4.019167 -1.832539
O 2.425315 -3.167898 0.175323
O 0.411470 -4.624906 0.432701
O 5.935965 0.832739 1.853129
O 3.633178 0.146584 2.588091
N 0.680569 1.272411 -1.656229
N -1.903090 -3.271906 0.444347
N 4.850531 -1.193655 0.781363
C -1.368455 0.244883 -0.638827
C -2.010013 -0.896050 -0.117582
C -0.028421 0.182274 -1.064146
C -1.296071 -2.143245 -0.016708
C 0.079701 -2.177914 -0.420360
C -2.118755 1.547661 -0.754654
C -3.418555 1.666703 -0.044919
C -4.044551 0.525275 0.481023
C -3.404397 -0.819188 0.364552
C 0.661013 -1.053949 -0.982042
C 1.974174 1.628145 -1.164538
C -4.027255 2.920883 0.077798
C -5.280157 0.642479 1.125581
C 2.555626 1.013228 -0.041497
C -5.260522 3.035263 0.732669
C -5.885020 1.900291 1.253106
C 3.897688 1.251882 0.255768
C 2.719052 2.578010 -1.903938
C 4.645419 2.163708 -0.480963
C 4.037961 2.844799 -1.549129
H 1.693323 -1.098970 -1.370588
H 0.095159 2.057624 -1.992391
H -3.534825 3.802887 -0.343101
H -5.765657 -0.254458 1.524437
H -1.402680 -4.160490 0.585731
H -2.892473 -3.262716 0.729444
H 1.964267 0.367998 0.614693
H -5.731769 4.014288 0.831731
H -6.847323 1.988331 1.760102
H 2.265437 3.086479 -2.754483
H 5.693813 2.355325 -0.233137
H 4.612567 3.579546 -2.114561
H 1.978938 -4.655860 -2.022488
H 5.747044 -1.660791 0.881522
H 4.098649 -1.894017 0.795171


%chk=000272572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272572

0 1
S 1.136027 -3.469598 -0.110932
S 5.306606 0.012372 1.170852
O -1.609129 2.802068 -0.665677
O -4.179291 -1.883468 0.747473
O 0.878332 -3.924392 -1.884123
O 2.679294 -3.013758 0.079360
O 0.529671 -4.652353 0.819095
O 6.849931 0.521766 1.188691
O 4.453727 -0.205662 2.543193
N 0.675207 1.630835 -0.721094
N -1.968427 -3.213462 0.608044
N 5.313282 -1.494273 0.136059
C -1.429946 0.433351 -0.211579
C -2.100380 -0.797921 0.130093
C -0.009709 0.452012 -0.445981
C -1.372064 -2.048465 0.226862
C 0.026663 -1.961556 -0.100999
C -2.188784 1.696225 -0.317014
C -3.637454 1.687639 -0.024505
C -4.295817 0.475998 0.330653
C -3.548165 -0.804111 0.416223
C 0.681203 -0.797107 -0.450436
C 2.082818 1.784596 -0.715245
C -4.376152 2.896545 -0.102644
C -5.687072 0.487876 0.604778
C 2.898890 1.044240 0.183556
C -5.755761 2.899626 0.173211
C -6.412868 1.691511 0.527851
C 4.285802 1.151376 0.058309
C 2.702806 2.699032 -1.610457
C 4.936223 2.017469 -0.830579
C 4.108079 2.827750 -1.646252
H 1.733673 -0.842775 -0.740654
H 0.029499 2.443835 -0.865154
H -3.843785 3.811466 -0.378667
H -6.168148 -0.456871 0.874275
H -1.409144 -4.061716 0.747456
H -2.985610 -3.151538 0.798758
H 2.471594 0.430273 0.982702
H -6.324047 3.833825 0.115323
H -7.486776 1.696864 0.742123
H 2.078783 3.289294 -2.290109
H 6.028496 2.061518 -0.872199
H 4.565472 3.538848 -2.341529
H 1.443146 -4.728019 -2.084199
H 6.165152 -2.035833 0.353642
H 4.431451 -2.033833 0.237856


