%chk=000224977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224977

0 1
S 1.005993 2.470963 0.369690
S 0.130623 -2.830016 -0.442824
O 0.466516 2.332375 1.958803
O -0.353366 -2.646385 -2.040734
O 2.014740 3.495756 0.398038
O -0.202547 2.682904 -0.388220
O 0.891243 -4.047422 -0.385014
O -1.095028 -2.675103 0.300686
N -0.629949 0.069609 0.190759
N -1.475234 0.052221 -0.728648
N -6.986143 0.423794 0.267803
C 3.063474 0.642252 0.049761
C 1.656412 0.899027 0.089573
C 3.509174 -0.702433 -0.152386
C 1.206600 -1.499834 -0.256533
C 0.763834 -0.160713 -0.064703
C 2.565984 -1.749165 -0.300499
C 4.066982 1.651837 0.198122
C 4.913198 -0.996734 -0.202657
C 5.401910 1.341634 0.147019
C 5.839957 -0.000779 -0.056975
C -2.854058 0.176659 -0.378050
C -3.650816 0.963778 -1.238733
C -3.435789 -0.515717 0.707347
C -5.601642 0.377146 0.080360
C -5.013264 1.073839 -1.006113
C -4.800145 -0.422011 0.934232
H 2.933832 -2.778798 -0.449200
H 3.773915 2.705038 0.356716
H 5.221686 -2.031945 -0.359482
H 6.154435 2.125696 0.262865
H 6.908223 -0.209597 -0.092885
H -0.499338 2.298321 2.069126
H -1.298132 -2.455444 -2.181184
H -3.182657 1.497829 -2.070801
H -2.802792 -1.151816 1.339938
H -5.627654 1.685663 -1.661715
H -5.252434 -0.972700 1.755374
H -7.368936 0.116375 1.146670
H -7.515507 1.147995 -0.188825


%chk=000224977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224977

0 1
S 0.973799 2.370504 1.178771
S 0.162485 -2.879374 -1.165675
O -0.197810 1.660295 2.375559
O -0.892559 -2.093075 -2.385785
O 2.054694 3.176859 2.059907
O 0.162932 3.140834 0.009799
O 1.139218 -3.911238 -1.928744
O -0.721578 -3.361784 0.101217
N -0.609817 0.143425 0.240269
N -1.544216 -0.370213 -0.526793
N -6.977532 0.822102 0.232617
C 3.128700 0.573024 0.263863
C 1.716879 0.734196 0.431296
C 3.571483 -0.643965 -0.402181
C 1.253419 -1.389745 -0.642243
C 0.745409 -0.192958 -0.019739
C 2.605773 -1.603881 -0.830958
C 4.124473 1.516613 0.695698
C 4.966851 -0.870839 -0.612879
C 5.478653 1.260710 0.469398
C 5.909478 0.066407 -0.186977
C -2.873385 -0.017391 -0.280515
C -3.860231 -0.777044 -0.985884
C -3.289562 1.048025 0.584399
C -5.638540 0.545518 0.058878
C -5.218030 -0.509662 -0.814398
C -4.644654 1.324601 0.745028
H 2.931705 -2.534795 -1.311654
H 3.817811 2.426655 1.217461
H 5.279600 -1.793123 -1.114540
H 6.224538 1.988508 0.805292
H 6.977340 -0.109553 -0.351459
H -0.657434 0.965490 1.758915
H -1.273587 -1.302065 -1.781143
H -3.534176 -1.591601 -1.641433
H -2.546536 1.674752 1.085797
H -5.966935 -1.108784 -1.343734
H -4.959520 2.153817 1.388761
H -7.283374 1.568567 0.853395
H -7.692463 0.284284 -0.252886


