%chk=000266118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266118

0 1
S -4.947655 -1.369099 -0.932894
O 0.098797 -3.435809 0.472971
O -1.736378 0.525842 1.580811
O -0.794875 -2.406944 -1.296759
N -2.470153 -0.258937 -0.465748
N -4.491536 0.859060 0.352071
C 0.707133 1.403642 0.397392
C 2.108810 -1.169389 -0.327387
C -0.057199 0.165160 -0.143688
C 0.661924 -1.137001 0.242216
C 2.196720 1.306265 0.152662
C 2.810324 0.167994 -0.217275
C 0.098555 2.666579 -0.253913
C 2.904540 -2.264744 0.418337
C 2.955159 2.578672 0.439026
C 4.263070 0.115920 -0.623765
C 0.853497 3.935801 0.150302
C 4.350565 -2.345749 -0.078300
C 2.333662 3.812590 -0.224949
C 5.044512 -0.990106 0.095710
C -1.472213 0.189054 0.453961
C -0.092676 -2.329518 -0.310394
C -3.843017 -0.111986 -0.263409
C -6.312481 -0.477030 -0.322024
C -5.886985 0.641696 0.329860
H 0.547986 1.464292 1.508910
H 2.061238 -1.430010 -1.416883
H -0.095818 0.235010 -1.262000
H 0.708284 -1.214375 1.363158
H -0.966693 2.759469 0.040269
H 0.109973 2.566736 -1.356437
H 2.403530 -3.245792 0.300496
H 2.899297 -2.053160 1.506474
H 2.981907 2.719588 1.541381
H 4.018991 2.486924 0.126618
H 4.310637 -0.042349 -1.722139
H 4.759918 1.095463 -0.445164
H 0.747242 4.112476 1.238389
H 0.402842 4.816371 -0.345165
H 4.375770 -2.654176 -1.140837
H 4.897351 -3.129464 0.479355
H 2.884043 4.722162 0.079354
H 2.440414 3.740815 -1.324684
H 6.078758 -1.035592 -0.292661
H 5.129932 -0.746332 1.172749
H -2.177989 -0.788139 -1.306858
H -0.392505 -4.237659 0.137592
H -7.319985 -0.819003 -0.477999
H -6.505324 1.387784 0.823969


%chk=000266118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266118

0 1
S -4.818563 -1.626573 -1.025572
O -0.237121 -3.253818 0.828806
O -1.811984 0.792507 1.553137
O -0.758559 -2.377040 -1.246035
N -2.472288 -0.150494 -0.504195
N -4.597568 0.689618 0.327842
C 0.730313 1.494552 0.404279
C 2.056490 -1.132311 -0.348501
C -0.067586 0.275471 -0.117006
C 0.635891 -1.048112 0.302958
C 2.242376 1.347829 0.218316
C 2.828890 0.188413 -0.217890
C 0.212459 2.780592 -0.316939
C 2.852913 -2.306251 0.305578
C 3.010882 2.615848 0.579908
C 4.286110 0.075309 -0.658591
C 0.973655 4.052216 0.107841
C 4.301358 -2.415608 -0.211621
C 2.486375 3.883610 -0.143226
C 5.053772 -1.089267 0.015981
C -1.517636 0.346208 0.416522
C -0.179614 -2.250619 -0.134535
C -3.854171 -0.184720 -0.318035
C -6.280099 -0.839925 -0.337917
C -5.949672 0.325290 0.331277
H 0.495062 1.611151 1.484102
H 1.929770 -1.370428 -1.429039
H -0.088472 0.302039 -1.225130
H 0.745788 -1.074653 1.402107
H -0.867471 2.897011 -0.106319
H 0.324659 2.641790 -1.412954
H 2.315315 -3.257771 0.134330
H 2.872916 -2.146551 1.403110
H 2.885411 2.779644 1.673020
H 4.094041 2.503280 0.408185
H 4.292279 -0.113124 -1.755651
H 4.827637 1.023696 -0.509134
H 0.798168 4.244835 1.186156
H 0.581129 4.928518 -0.442773
H 4.295543 -2.652706 -1.295896
H 4.817533 -3.252364 0.296935
H 3.042523 4.772386 0.212516
H 2.674027 3.793107 -1.232261
H 6.080951 -1.147519 -0.392744
H 5.142402 -0.895201 1.103771
H -2.088031 -0.681626 -1.295542
H -0.790147 -4.011038 0.489054
H -7.261938 -1.282141 -0.489748
H -6.663821 0.977944 0.834225


