%chk=000294827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294827

0 1
S 4.935559 -0.504141 0.386347
S -1.448768 1.928997 -1.001948
O -1.885195 2.181445 -2.363734
O -1.347979 3.034623 -0.083184
N 0.750075 0.852797 -0.121715
N 0.139707 1.255612 -1.278051
C 3.431783 -1.089658 1.264782
C 3.992237 -0.541858 -1.189016
C 2.923405 -2.215617 0.356907
C 3.262427 -1.888253 -1.116090
C 2.478530 0.102624 1.328029
C 3.039760 0.654023 -1.153740
C 2.018031 0.557908 -0.042502
C -2.355715 0.647127 -0.312985
C -2.220347 0.336159 1.044571
C -3.241521 -0.087929 -1.112289
C -3.858807 -1.437354 0.807366
C -2.968196 -0.700672 1.605327
C -3.990937 -1.123360 -0.558642
C -4.670674 -2.542602 1.394493
H 3.699669 -1.447005 2.278562
H 4.687522 -0.479238 -2.049234
H 3.384444 -3.178645 0.645770
H 1.831643 -2.348468 0.479426
H 2.340346 -1.865254 -1.726855
H 3.893747 -2.688954 -1.545375
H 2.964393 0.964115 1.839530
H 1.601027 -0.153022 1.963577
H 2.543254 0.746246 -2.142944
H 3.615726 1.598727 -1.024034
H 0.695391 1.524623 -2.102801
H -1.525943 0.907383 1.671903
H -3.349395 0.156965 -2.176342
H -2.860205 -0.933904 2.662580
H -4.680672 -1.688765 -1.182154
H -5.741129 -2.283697 1.403409
H -4.571418 -3.472205 0.814642
H -4.390779 -2.779074 2.429914


%chk=000294827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294827

0 1
S 5.228990 -0.541951 0.047985
S -1.482630 2.113005 -0.753645
O -1.992121 2.585695 -2.226099
O -1.335169 3.159982 0.482199
N 0.904416 0.939951 -0.031071
N 0.209707 1.242023 -1.191258
C 3.759465 -0.956575 1.200540
C 3.947241 -0.719806 -1.351521
C 3.092894 -2.187129 0.535395
C 3.200840 -2.039708 -1.023930
C 2.820433 0.271721 1.271428
C 2.997929 0.507788 -1.350771
C 2.177758 0.604163 -0.067308
C -2.486130 0.644886 -0.163489
C -2.584330 0.424666 1.217891
C -3.121561 -0.155050 -1.127460
C -4.028743 -1.514111 0.721831
C -3.366382 -0.670270 1.650865
C -3.896766 -1.239859 -0.667377
C -4.881271 -2.677196 1.195127
H 4.179323 -1.183001 2.193968
H 4.504526 -0.771256 -2.301003
H 3.609034 -3.106472 0.861228
H 2.037659 -2.261995 0.858835
H 2.200973 -2.034659 -1.497651
H 3.763456 -2.891625 -1.442787
H 3.405005 1.142149 1.628653
H 2.008523 0.097932 2.002340
H 2.310917 0.416299 -2.217650
H 3.599627 1.427271 -1.494411
H 0.648776 1.903683 -1.869989
H -2.080263 1.093135 1.922488
H -3.025107 0.076278 -2.192971
H -3.462264 -0.868627 2.724264
H -4.408456 -1.880315 -1.395226
H -5.953002 -2.489581 0.993665
H -4.612149 -3.612660 0.671537
H -4.770152 -2.849083 2.278880


