%chk=000222601.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222601

0 1
O 2.502808 0.753763 -0.264056
O -3.483311 -0.435632 1.302135
O -3.905783 0.434442 -0.701396
C -0.764560 -0.904301 0.257203
C -1.594899 0.213477 0.031377
C -1.025887 1.473290 -0.301413
C -1.343525 -2.259156 0.569740
C 1.170610 0.479893 -0.148912
C 0.626980 -0.772911 0.164083
C 0.357030 1.606805 -0.383873
C 3.466640 -0.328957 -0.043179
C -1.900473 2.655099 -0.547327
C 4.807680 0.371202 -0.255807
C -1.811393 -2.954604 -0.706934
C -3.057180 0.108058 0.100623
C 5.964716 -0.601588 -0.068189
H -0.600714 -2.892961 1.095426
H -2.191546 -2.159791 1.286548
H 1.259212 -1.637463 0.328370
H 0.825534 2.557288 -0.627078
H 3.274682 -1.124172 -0.782005
H 3.337433 -0.708367 0.983684
H 4.834864 0.822802 -1.269238
H 4.896102 1.226444 0.445926
H -2.367539 3.008721 0.384309
H -1.360132 3.506660 -0.980902
H -2.726094 2.411657 -1.242345
H -2.589261 -2.375611 -1.222257
H -2.229631 -3.943356 -0.486518
H -0.986570 -3.092440 -1.416768
H 5.920527 -1.433609 -0.781125
H 6.927512 -0.096998 -0.220580
H 5.981232 -1.029223 0.941438
H -4.473367 -0.498462 1.352737


%chk=000222601-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222601

0 1
O 2.530326 0.858516 -0.313874
O -3.568591 -0.748090 1.181237
O -3.970020 0.734358 -0.535429
C -0.759948 -0.872690 0.294894
C -1.640068 0.235290 0.059983
C -1.098224 1.516575 -0.318793
C -1.235633 -2.291734 0.598876
C 1.167885 0.579921 -0.181212
C 0.636241 -0.683220 0.167122
C 0.296882 1.667439 -0.419969
C 3.494845 -0.234028 -0.068424
C -1.965821 2.734193 -0.590302
C 4.895616 0.348966 -0.266565
C -1.863033 -2.989928 -0.637890
C -3.119665 0.119645 0.159968
C 5.989901 -0.717235 -0.039446
H -0.367855 -2.887313 0.938794
H -1.973548 -2.281578 1.416068
H 1.294728 -1.540151 0.338159
H 0.732989 2.635367 -0.684894
H 3.304462 -1.062950 -0.781692
H 3.365331 -0.616705 0.965364
H 4.969050 0.762110 -1.289644
H 5.032698 1.194587 0.432591
H -2.685816 2.921508 0.226183
H -1.336813 3.631793 -0.713445
H -2.573027 2.594444 -1.500757
H -2.761832 -2.452486 -0.987865
H -2.164133 -4.023230 -0.385780
H -1.145906 -3.033447 -1.477753
H 5.883568 -1.561505 -0.746330
H 6.994290 -0.282564 -0.185224
H 5.947313 -1.127189 0.987164
H -4.564497 -0.748671 1.152582


