%chk=000272937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272937

0 1
S 7.053559 0.319536 -0.082539
F 7.246982 1.217516 -1.373747
O 7.433043 1.194467 0.986057
O 7.777677 -0.874826 -0.405450
O 0.403723 1.068557 1.054891
O -8.067341 0.513324 -1.075687
O -6.569739 2.051243 -1.354425
N 1.220702 -0.738801 -0.126395
N -6.934277 0.951428 -0.975619
C 2.608944 -0.438358 -0.090234
C 5.369015 0.035283 -0.088822
C 3.481385 -1.333137 -0.758462
C 3.127581 0.688075 0.578257
C 4.849016 -1.087143 -0.749842
C 4.499774 0.914212 0.574088
C -3.641180 -0.292798 0.381955
C -4.603943 0.542465 -0.204617
C -2.261214 0.196364 0.528127
C -5.916748 0.074662 -0.343432
C -4.011760 -1.572632 0.833524
C 0.178198 0.034506 0.460803
C -1.176248 -0.548154 0.269952
C -6.292926 -1.200694 0.103969
C -5.329385 -2.018879 0.696887
H 3.095056 -2.207900 -1.276365
H 2.457012 1.383770 1.098722
H 5.526957 -1.783774 -1.260630
H 4.902552 1.788595 1.102898
H 0.961727 -1.585178 -0.642271
H -4.343631 1.547351 -0.559652
H -2.160809 1.240782 0.866191
H -3.266989 -2.217918 1.304774
H -1.243798 -1.579089 -0.074720
H -7.329534 -1.537746 -0.013521
H -5.608481 -3.011611 1.055533


%chk=000272937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272937

0 1
S 7.224853 0.364647 0.093831
F 7.491358 0.575141 -1.738496
O 7.546532 1.796035 0.748991
O 8.024287 -0.971208 0.496226
O 0.295961 1.372392 0.173528
O -8.379846 0.701890 0.107255
O -6.839929 2.380691 0.226876
N 1.279660 -0.758938 -0.015472
N -7.165718 1.136112 0.136672
C 2.654759 -0.439322 0.012059
C 5.396253 0.045509 0.056836
C 3.578698 -1.521408 -0.085274
C 3.134770 0.897454 0.136762
C 4.962507 -1.286522 -0.069015
C 4.520784 1.140074 0.154055
C -3.674320 -0.358675 0.025435
C -4.735100 0.583997 0.094852
C -2.294920 0.145766 0.064341
C -6.067322 0.132067 0.062049
C -4.003711 -1.743525 -0.076444
C 0.174991 0.114981 0.063412
C -1.139094 -0.581285 0.005361
C -6.400454 -1.234690 -0.037861
C -5.345216 -2.171368 -0.107333
H 3.212429 -2.550798 -0.177821
H 2.420196 1.718040 0.213434
H 5.680961 -2.108682 -0.138321
H 4.907280 2.159140 0.253565
H 1.059706 -1.754005 -0.106152
H -4.536510 1.657322 0.173947
H -2.168477 1.235054 0.151938
H -3.205667 -2.491370 -0.131215
H -1.148276 -1.675862 -0.083496
H -7.450638 -1.536811 -0.058866
H -5.575884 -3.238347 -0.185460


