%chk=000262163.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262163

0 1
S 1.203328 -0.539325 -0.926404
O 0.868501 2.428018 1.413466
O -5.385441 -0.452083 -1.838813
N -0.534806 0.823318 0.624053
C 0.512510 -0.201938 0.759405
C 0.014669 -1.512740 1.302895
C -1.799787 0.471963 0.013216
C -0.234081 2.163891 0.957510
C 0.361427 -1.861246 2.618710
C -0.762865 -2.392794 0.535747
C 2.880499 -0.010977 -0.836018
C -1.960499 0.576319 -1.384697
C -2.856258 0.039467 0.827439
C -0.062804 -3.078390 3.157519
C -1.183904 -3.609659 1.079896
C -3.180505 0.255329 -1.962018
C -4.090293 -0.285210 0.257325
C -1.314305 3.179328 0.748604
C -4.239229 -0.173499 -1.130608
C 3.241261 1.230492 -0.310516
C 3.837100 -0.873978 -1.378304
C -0.835264 -3.955039 2.389084
C 5.558450 0.767556 -0.881612
C 4.583597 1.615725 -0.330330
C 5.176539 -0.479136 -1.405468
C 6.994475 1.180070 -0.893269
C -6.542280 -0.917503 -1.102120
H 1.337737 0.219566 1.408056
H 0.964256 -1.184687 3.224093
H -1.043364 -2.135947 -0.487445
H -1.123170 0.901597 -2.007903
H -2.712513 -0.054158 1.905229
H 0.211786 -3.344442 4.176767
H -1.782745 -4.291225 0.478102
H -3.338470 0.321438 -3.037161
H -4.903867 -0.621899 0.891428
H -1.578275 3.286001 -0.314127
H -2.238426 2.926179 1.287447
H -0.979984 4.166343 1.106470
H 2.491318 1.903707 0.123416
H 3.549203 -1.847792 -1.776751
H -1.161681 -4.904678 2.808330
H 4.870192 2.580421 0.084517
H 5.925657 -1.143895 -1.829797
H 7.114519 2.269708 -0.960968
H 7.497998 0.855529 0.029854
H 7.548007 0.743965 -1.735291
H -6.877561 -0.151897 -0.396928
H -6.320340 -1.865495 -0.603873
H -7.276213 -1.059198 -1.906855


%chk=000262163-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262163

0 1
S 1.180795 -0.084213 -1.355795
O 0.762949 2.689984 1.120145
O -5.708960 -0.609176 -1.646549
N -0.684256 0.984509 0.458864
C 0.443377 0.034740 0.446224
C 0.096075 -1.326362 1.027890
C -1.978290 0.569911 -0.048162
C -0.406445 2.325158 0.785126
C 0.337129 -1.542180 2.409406
C -0.476312 -2.370880 0.261127
C 2.979260 0.149191 -1.012324
C -2.274440 0.701928 -1.429778
C -2.945776 0.023699 0.822210
C 0.008216 -2.776047 3.015110
C -0.809093 -3.602891 0.864644
C -3.525464 0.298757 -1.928120
C -4.207330 -0.382484 0.334484
C -1.567815 3.306944 0.718953
C -4.497007 -0.242950 -1.046872
C 3.459433 1.265256 -0.284986
C 3.891007 -0.783978 -1.558736
C -0.568872 -3.810698 2.243444
C 5.784397 0.510631 -0.651661
C 4.850301 1.428977 -0.103699
C 5.280720 -0.592259 -1.387506
C 7.277171 0.691016 -0.434825
C -6.747697 -1.182487 -0.786014
H 1.250085 0.514774 1.022393
H 0.788670 -0.742319 3.009277
H -0.642962 -2.222188 -0.811083
H -1.515959 1.113620 -2.104495
H -2.703556 -0.094071 1.883505
H 0.210762 -2.931594 4.080792
H -1.248961 -4.403210 0.258917
H -3.773503 0.391681 -2.989574
H -4.939284 -0.806046 1.028078
H -1.847585 3.509542 -0.330787
H -2.467716 2.923227 1.228295
H -1.243546 4.247738 1.187494
H 2.756098 1.998533 0.127217
H 3.515530 -1.652333 -2.110187
H -0.818957 -4.771122 2.708346
H 5.213835 2.295818 0.461934
H 5.979817 -1.316834 -1.823025
H 7.549869 1.759171 -0.366928
H 7.603813 0.209266 0.507628
H 7.863802 0.239764 -1.254425
H -7.063020 -0.465158 -0.003608
H -6.404022 -2.122685 -0.312850
H -7.592188 -1.392572 -1.458214


