%chk=000271669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271669

0 1
S 1.824542 -1.496906 -0.575121
O 1.950267 1.651458 0.678815
O 5.197379 -1.825222 1.366841
O 2.116612 -2.883569 -0.862634
O 2.453831 -0.440311 -1.351449
O 6.096178 1.820609 -1.272634
O -4.338537 1.292198 0.194358
O -9.268713 2.164780 0.333719
O -9.085550 -0.012493 0.827578
N 2.406535 -1.200999 1.035014
N 4.051446 1.789929 -0.195301
N 5.657449 -0.013096 0.058160
N -4.073388 -0.953347 -0.272334
C 3.431132 -0.174511 1.282695
C 3.036246 1.128829 0.539046
C 4.822819 -0.766124 0.913273
C 3.492521 0.180496 2.775113
C 5.318891 1.235278 -0.549467
C 0.131396 -1.300540 -0.465056
C 3.663543 3.036366 -0.920495
C 6.970518 -0.599295 -0.339985
C -0.442601 -0.048706 -0.206055
C -0.698890 -2.418055 -0.652225
C -2.652146 -1.024003 -0.325268
C -1.826385 0.097336 -0.134446
C -2.080390 -2.294633 -0.585899
C -4.845300 0.213152 -0.016720
C -6.339667 -0.046695 -0.028882
C -7.109030 1.264837 0.117226
C -8.542978 1.005466 0.467784
H 2.511821 -2.004553 1.674071
H 2.505755 0.513837 3.135869
H 4.209627 0.985831 2.977962
H 3.787448 -0.684635 3.386923
H 2.964516 3.624260 -0.299774
H 4.560075 3.644518 -1.136121
H 3.164467 2.789492 -1.874823
H 6.877560 -1.128523 -1.304451
H 7.727620 0.197607 -0.448415
H 7.308898 -1.321118 0.425798
H 0.196230 0.836946 -0.053541
H -0.252243 -3.401386 -0.856619
H -2.260322 1.083778 0.070859
H -2.707583 -3.170133 -0.735209
H -4.566413 -1.837422 -0.431551
H -6.617081 -0.741276 0.800699
H -6.651078 -0.567864 -0.959880
H -7.037210 1.882382 -0.807965
H -6.641794 1.914604 0.900640
H -10.229223 2.048925 0.571778


%chk=000271669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271669

0 1
S 1.859737 -1.632808 -0.378513
O 2.021503 1.656802 0.863412
O 5.162364 -2.001187 0.956131
O 2.079806 -3.226798 -0.625530
O 2.561301 -0.534010 -1.371205
O 6.133709 1.962694 -1.292661
O -4.498354 1.361745 0.353184
O -9.507789 2.094145 -0.349335
O -9.182170 0.244199 1.014489
N 2.486955 -1.146743 1.367173
N 4.108595 1.836634 -0.125419
N 5.681890 -0.003702 -0.133439
N -4.171356 -0.902015 -0.179980
C 3.607202 -0.166891 1.292830
C 3.147318 1.144270 0.629046
C 4.868039 -0.808391 0.668513
C 3.942857 0.175601 2.783729
C 5.349462 1.307573 -0.560091
C 0.004848 -1.351745 -0.256876
C 3.713027 3.167218 -0.652622
C 6.942027 -0.569179 -0.678746
C -0.499210 -0.079581 0.055142
C -0.807733 -2.466653 -0.524398
C -2.755148 -1.007209 -0.186790
C -1.897774 0.095055 0.090769
C -2.201174 -2.283244 -0.488539
C -4.966874 0.217963 0.084864
C -6.473038 -0.072017 0.059815
C -7.279302 1.200643 -0.248381
C -8.715479 1.088476 0.216662
H 2.866382 -2.050075 1.731560
H 3.036228 0.575554 3.264100
H 4.748992 0.929165 2.835371
H 4.276566 -0.734546 3.310218
H 3.280458 3.764941 0.163967
H 4.608269 3.650933 -1.065700
H 2.953641 3.044592 -1.442859
H 6.843741 -0.729340 -1.764770
H 7.769826 0.132995 -0.497922
H 7.119655 -1.529133 -0.173883
H 0.173583 0.751948 0.290367
H -0.358163 -3.437556 -0.754206
H -2.331485 1.066731 0.330917
H -2.860301 -3.134982 -0.696340
H -4.676699 -1.766516 -0.391056
H -6.776419 -0.448821 1.057116
H -6.714637 -0.874749 -0.662451
H -7.263215 1.457470 -1.321645
H -6.806596 2.057248 0.272564
H -10.436262 2.020795 0.003320


