%chk=000218154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218154

0 1
S 1.927850 0.896153 -1.107707
S 3.093785 1.347675 0.521764
O 4.530614 0.714657 -0.050627
O 3.280740 2.753899 0.626933
O 2.700494 0.522572 1.619795
N -0.268201 -1.705422 -1.234588
N 0.930456 -1.750480 0.900696
C -2.565623 -1.185977 -0.294383
C -2.111363 -0.468811 0.991752
C -2.848372 -0.204559 -1.445566
C -3.283119 0.190754 1.731936
C -3.923360 0.837455 -1.110703
C -3.562503 1.642450 1.316377
C -3.406414 1.943797 -0.180930
C -1.536921 -2.259462 -0.742241
C 0.757697 -1.455863 -0.479556
C 1.984435 -0.918914 -1.178838
H -3.513868 -1.738250 -0.067769
H -1.342647 0.289661 0.748163
H -1.622840 -1.196693 1.670459
H -3.158217 -0.777465 -2.341400
H -1.907662 0.303115 -1.740957
H -3.084806 0.168120 2.821764
H -4.200715 -0.413725 1.587343
H -4.808942 0.347042 -0.665288
H -4.279192 1.295800 -2.054545
H -2.890857 2.319626 1.880832
H -4.590126 1.905874 1.636787
H -3.936442 2.889714 -0.407651
H -2.339498 2.142774 -0.406108
H -1.960879 -2.818232 -1.613380
H -1.403937 -3.013208 0.063599
H 2.928595 -1.341687 -0.778437
H 1.970203 -1.194514 -2.263594
H 0.079044 -1.791765 1.454998
H 1.666888 -1.250849 1.401948
H 5.345102 1.222738 0.101521


%chk=000218154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218154

0 1
S 2.023433 1.297784 -0.748539
S 3.872593 0.970720 0.885999
O 5.261528 0.917721 -0.360753
O 4.145017 2.147367 1.955988
O 3.720376 -0.555353 1.453790
N -0.331831 -1.379599 -1.158667
N 1.156294 -1.656212 0.753091
C -2.637157 -1.177898 -0.170979
C -2.228872 -0.270132 1.021489
C -3.168521 -0.429047 -1.420564
C -3.429992 0.421038 1.718276
C -4.303994 0.598337 -1.184682
C -3.865551 1.783587 1.114807
C -3.838786 1.874123 -0.434945
C -1.461932 -2.126373 -0.578771
C 0.814747 -1.240732 -0.522436
C 1.910096 -0.512097 -1.270426
H -3.445805 -1.849558 0.196660
H -1.484103 0.482152 0.694440
H -1.718345 -0.911052 1.771756
H -3.517846 -1.193321 -2.146039
H -2.316560 0.086649 -1.905113
H -3.190861 0.582916 2.788159
H -4.287774 -0.282196 1.704737
H -5.153546 0.125859 -0.649109
H -4.694773 0.894132 -2.178716
H -3.216101 2.585596 1.519836
H -4.890075 2.005445 1.476162
H -4.465338 2.736246 -0.738553
H -2.810783 2.112303 -0.775574
H -1.834093 -2.806766 -1.370766
H -1.193714 -2.764895 0.297062
H 2.904489 -0.970234 -1.123541
H 1.672786 -0.493460 -2.347540
H 0.457032 -2.063222 1.371738
H 2.084221 -1.419950 1.138419
H 6.113142 0.728123 0.135700


