%chk=000281650.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281650

0 1
S 2.558016 1.042856 -1.444784
O 2.291800 2.410901 -1.020607
O 3.044604 0.811984 -2.792015
O -2.396745 -0.163294 1.942553
N 1.113067 0.103601 -1.290776
N -3.445582 1.076068 0.323096
N -4.595172 0.277830 0.100047
C -0.401474 1.706393 -0.016939
C -1.264071 1.851337 1.244507
C 0.287620 0.330637 -0.079607
C -1.778057 3.278419 1.419326
C -2.406550 0.825975 1.222886
C 0.330521 -0.046871 -2.542599
C 3.605858 0.308067 -0.287980
C 4.018609 1.032449 0.836565
C 4.060001 -1.001243 -0.478407
C 5.326231 -0.867942 1.587612
C 4.872819 0.450874 1.772083
C 4.914822 -1.590197 0.454078
C -4.269304 -0.932250 -0.679883
C -5.296008 -0.076825 1.375865
C 6.251697 -1.489408 2.578809
C -4.865018 -1.001219 -1.948920
C -3.440134 -1.966113 -0.220861
C -4.628195 -2.117464 -2.755690
C -3.209462 -3.073694 -1.039111
C -3.801917 -3.151761 -2.304410
H -1.004697 1.875339 -0.928091
H 0.367980 2.516906 -0.034794
H -0.639073 1.590873 2.142614
H 0.938885 0.184468 0.813037
H -0.477240 -0.482192 -0.024770
H -2.278201 3.663595 0.523899
H -2.483705 3.353829 2.256146
H -0.947592 3.965800 1.633808
H -0.244155 0.850268 -2.823112
H -0.378316 -0.886810 -2.436538
H 1.012900 -0.295182 -3.379656
H -3.458313 1.909119 -0.269498
H 3.671505 2.063509 0.979753
H 3.748529 -1.569455 -1.360974
H 5.191614 1.019880 2.643169
H 5.264876 -2.609040 0.300032
H -4.678499 -0.648292 2.092224
H -6.187991 -0.672501 1.124203
H -5.630524 0.848816 1.870116
H 7.301077 -1.306137 2.297281
H 6.124800 -2.578933 2.648264
H 6.117391 -1.086851 3.592526
H -5.508014 -0.192294 -2.294427
H -2.977151 -1.899178 0.770305
H -5.089719 -2.179954 -3.739975
H -2.566700 -3.879875 -0.687994
H -3.620542 -4.018319 -2.937282


%chk=000281650-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281650

0 1
S 2.809391 0.814238 -1.329050
O 2.602522 2.406472 -0.982861
O 3.350801 0.350187 -2.795929
O -2.261562 -0.322117 1.601428
N 1.259374 -0.248828 -1.012057
N -3.675682 1.106948 0.434846
N -4.705332 0.155439 0.300262
C -0.388172 1.564150 -0.156725
C -1.381953 1.899022 1.002746
C 0.444692 0.283387 0.114623
C -1.909985 3.346876 0.867903
C -2.464139 0.806460 1.063390
C 0.552572 -0.558596 -2.277191
C 3.947062 0.125915 0.006063
C 4.297673 0.970752 1.068565
C 4.441421 -1.181510 -0.137546
C 5.702143 -0.852186 1.958929
C 5.182540 0.464377 2.048856
C 5.322404 -1.662552 0.852922
C -4.590152 -0.783624 -0.762682
C -5.426645 -0.188131 1.540541
C 6.648092 -1.393104 3.015472
C -5.364844 -1.978823 -0.759813
C -3.744458 -0.521477 -1.879254
C -5.292943 -2.874886 -1.847562
C -3.680455 -1.428881 -2.955357
C -4.454710 -2.612852 -2.954406
H -0.963191 1.456050 -1.097436
H 0.302271 2.416519 -0.293352
H -0.833089 1.810675 1.960829
H 1.127491 0.458077 0.968644
H -0.220663 -0.549164 0.414493
H -2.355200 3.538437 -0.128672
H -2.659194 3.589491 1.643605
H -1.071786 4.057528 0.975630
H -0.055254 0.271325 -2.692848
H -0.113308 -1.415300 -2.064186
H 1.298023 -0.862019 -3.030349
H -3.852087 2.034249 0.042479
H 3.904244 1.991803 1.109690
H 4.152695 -1.797459 -0.994430
H 5.473505 1.103770 2.889870
H 5.721767 -2.679962 0.766975
H -4.956352 -1.037340 2.073872
H -6.478875 -0.431047 1.308266
H -5.416738 0.693346 2.200406
H 7.602161 -1.725056 2.565846
H 6.210470 -2.268612 3.530783
H 6.880788 -0.633630 3.780673
H -6.010304 -2.222002 0.088476
H -3.138993 0.389874 -1.900910
H -5.894986 -3.790610 -1.821824
H -3.023370 -1.204823 -3.804193
H -4.402579 -3.314276 -3.793342


