%chk=000227834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227834

0 1
S 0.438033 2.354446 -0.721945
F -5.976800 -1.731755 0.037604
F -6.070742 -0.017765 -1.190576
F -4.961387 -1.710060 -1.812816
O 0.706720 3.354719 -1.720571
O 0.523924 2.648796 0.685718
O 5.831491 0.563331 -0.683052
O 4.066086 -2.250164 2.537695
N 3.093077 -1.322744 0.601217
N -1.157514 1.818041 -1.111095
N 5.292443 -0.868090 1.072839
C 3.521718 -0.316846 -0.414547
C 2.752933 1.009411 -0.355694
C 1.395179 0.906737 -1.042909
C 5.026503 -0.102239 -0.090518
C 4.124600 -1.562125 1.552043
C -1.990178 1.014024 -0.290084
C -3.161019 0.468838 -0.860099
C -1.660125 0.724220 1.049329
C -3.969701 -0.373233 -0.091216
C -2.483185 -0.120050 1.791242
C -3.637918 -0.680929 1.231162
C -5.210964 -0.945202 -0.734769
H 3.436074 -0.785767 -1.432115
H 3.372132 1.799818 -0.845730
H 2.637802 1.338646 0.704365
H 1.534561 0.754600 -2.137079
H 0.862301 -0.013708 -0.721506
H 2.121103 -1.347210 0.892955
H -1.622076 2.229278 -1.935664
H 6.205418 -0.953075 1.514042
H -3.428391 0.703714 -1.890616
H -0.795853 1.191205 1.536193
H -2.229074 -0.340841 2.830520
H -4.261169 -1.338819 1.836779


%chk=000227834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227834

0 1
S 0.213281 1.287450 -0.373670
F -6.997981 1.115983 0.178035
F -5.957229 1.595882 -1.784633
F -6.764956 -0.485783 -1.403334
O 0.322720 2.630975 -1.291297
O -0.008481 1.374657 1.235526
O 5.860017 2.120761 -0.238137
O 5.991551 -2.130669 1.810724
N 4.459287 -1.123189 0.287599
N -1.147129 -0.007966 -1.127513
N 6.222243 0.095062 0.954824
C 4.315112 0.153108 -0.427983
C 3.012679 0.941993 -0.126601
C 1.790470 0.219797 -0.693477
C 5.553845 0.949679 0.076415
C 5.589758 -1.183537 1.100632
C -2.351819 -0.079812 -0.376590
C -3.585849 0.381376 -0.912516
C -2.325996 -0.673427 0.917203
C -4.775584 0.201720 -0.179744
C -3.519381 -0.809343 1.652017
C -4.752291 -0.385723 1.108648
C -6.091644 0.607118 -0.782220
H 4.418449 0.017935 -1.523991
H 3.119947 1.943235 -0.584809
H 2.907277 1.073012 0.965636
H 1.804585 0.103529 -1.789579
H 1.542019 -0.729502 -0.193780
H 3.870355 -1.943089 0.157241
H -1.304513 0.401630 -2.071666
H 7.075071 0.335336 1.461032
H -3.613249 0.871063 -1.892596
H -1.374063 -1.016892 1.330642
H -3.492809 -1.254517 2.651149
H -5.679688 -0.498648 1.677912


