%chk=000218084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218084

0 1
S -0.871556 -1.324225 0.302995
O 4.346702 -0.181117 0.234348
O 7.752142 -0.983267 0.433718
O 5.966761 -2.211017 0.564679
O -6.829474 1.361278 -0.016751
N -0.637958 1.218244 -0.103440
N -4.661870 -0.271031 0.343148
N -5.933623 -0.764650 0.504441
N 6.543014 -1.149070 0.427309
N -8.275955 -0.363665 0.455328
C -2.333434 -0.397447 0.113641
C -2.024607 0.937387 -0.089332
C 0.102281 0.142878 0.088412
C -3.625688 -1.060438 0.193990
C -2.968274 2.055372 -0.283388
C 1.548544 0.056581 0.136908
C 3.780886 1.086666 0.038840
C 2.337372 1.138287 -0.004492
C -3.635872 -2.558271 0.108475
C 4.772255 2.048652 -0.074222
C 5.732960 0.043031 0.236730
C 6.027115 1.379552 0.052792
C -6.982835 0.200832 0.289887
H -2.466812 3.002863 -0.526644
H -3.701536 1.836513 -1.080856
H -3.583113 2.216698 0.623199
H 1.974940 -0.943874 0.296542
H 1.911665 2.142311 -0.164289
H -3.245984 -3.011275 1.034002
H -3.013416 -2.922562 -0.724745
H -4.635950 -2.980085 -0.054342
H 4.636256 3.104801 -0.228692
H 7.007269 1.829784 0.012796
H -6.131771 -1.758849 0.322047
H -8.417533 -1.146086 1.076211
H -9.035900 0.310398 0.486554


%chk=000218084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218084

0 1
S -0.870113 -1.483034 0.295820
O 4.456720 -0.211255 0.136859
O 8.003032 -0.747944 0.177262
O 6.252616 -2.239758 0.340154
O -6.937971 1.471995 0.026547
N -0.609945 1.158959 0.023405
N -4.697476 -0.177539 0.187315
N -5.973769 -0.679432 0.247809
N 6.734535 -1.043829 0.213875
N -8.302261 -0.411023 0.234223
C -2.346165 -0.439628 0.199149
C -1.974911 0.927410 0.056977
C 0.136340 0.053004 0.131293
C -3.675520 -1.031466 0.267226
C -2.913327 2.095824 -0.055814
C 1.570496 -0.026696 0.130929
C 3.811609 1.045526 0.009469
C 2.381399 1.087229 0.011739
C -3.867180 -2.534742 0.421008
C 4.792999 2.051961 -0.098749
C 5.830055 0.057092 0.103649
C 6.072572 1.423188 -0.038830
C -7.067033 0.230803 0.158612
H -2.323072 3.021190 -0.143629
H -3.585409 1.992369 -0.925537
H -3.589356 2.157972 0.814420
H 2.029538 -1.016810 0.230577
H 1.917886 2.074595 -0.088034
H -4.406833 -2.773864 1.359483
H -2.910884 -3.077025 0.451768
H -4.448438 -2.951278 -0.426292
H 4.591796 3.115695 -0.207927
H 7.054512 1.885562 -0.090896
H -6.156042 -1.686882 0.350489
H -8.427106 -1.415344 0.344676
H -9.126292 0.182372 0.176774


