%chk=000198444.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198444

0 1
S 0.132232 -0.942864 -2.116797
S -2.626241 -2.919198 0.592937
S 2.525629 1.476439 -2.659715
P 1.633156 0.320700 -1.433092
O 2.598420 -0.706827 -0.570400
O 0.735378 0.991941 -0.222109
O -3.881224 0.516785 0.312428
O -2.269299 0.030398 1.830178
C -0.557772 -1.622050 -0.538920
C -1.876017 -2.245370 -0.923336
C 4.036747 -0.706826 -0.840095
C 1.434148 1.769364 0.805761
C -3.848443 -1.675712 1.059537
C 4.556475 -1.740820 0.141291
C 0.338567 2.066771 1.809589
C -3.203283 -0.328657 1.154397
C -3.428594 1.907205 0.191538
C -2.289774 1.983582 -0.797510
H -0.675920 -0.810641 0.219198
H 0.157746 -2.356127 -0.115542
H -1.754002 -3.095852 -1.628522
H -2.559590 -1.526371 -1.421202
H 4.212054 -1.004034 -1.891621
H 4.452592 0.299599 -0.647504
H 2.240601 1.150634 1.242592
H 1.843827 2.684867 0.339883
H -4.258521 -1.978150 2.050519
H -4.709265 -1.670107 0.355070
H 4.090880 -2.721296 -0.032733
H 4.318687 -1.464056 1.177318
H 5.642692 -1.859912 0.058425
H -0.345041 1.199732 1.914561
H -0.287342 2.911983 1.501584
H 0.743806 2.281217 2.803908
H -3.153741 2.276770 1.194818
H -4.355098 2.391930 -0.167821
H -2.074894 3.017534 -1.092144
H -1.353223 1.569723 -0.381108
H -2.502956 1.418793 -1.714361


%chk=000198444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198444

0 1
S 0.187024 -0.713574 -2.353346
S -2.485723 -3.130404 0.437270
S 2.899679 1.802329 -2.543279
P 1.779849 0.552047 -1.343042
O 2.686665 -0.561523 -0.344552
O 0.790590 1.220685 -0.087510
O -3.786624 0.364299 0.219487
O -2.428615 -0.070003 2.080396
C -0.492005 -1.573848 -0.768751
C -1.815594 -2.258435 -1.118437
C 3.910583 -1.197436 -0.908211
C 1.452790 1.908112 1.068596
C -3.774589 -1.869669 1.033254
C 4.599214 -1.903067 0.257118
C 0.320286 2.423581 1.951610
C -3.232826 -0.459534 1.203655
C -3.436164 1.825441 0.236579
C -2.565186 2.163976 -0.973187
H -0.619196 -0.788511 -0.010058
H 0.268917 -2.293873 -0.432967
H -1.693304 -3.049181 -1.876493
H -2.578798 -1.541515 -1.463678
H 3.607898 -1.911647 -1.698305
H 4.550062 -0.413920 -1.357672
H 2.085902 1.169633 1.591915
H 2.084457 2.727955 0.675383
H -4.080669 -2.261965 2.016759
H -4.623805 -1.870349 0.335976
H 3.933311 -2.657521 0.709138
H 4.888886 -1.178434 1.036885
H 5.511607 -2.413088 -0.103630
H -0.339324 1.597008 2.267435
H -0.283739 3.174359 1.413221
H 0.745762 2.900765 2.854234
H -2.928177 2.047975 1.190954
H -4.414253 2.333979 0.198918
H -2.427702 3.260519 -1.027537
H -1.567677 1.700818 -0.896662
H -3.046113 1.835114 -1.910466


