%chk=000270822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270822

0 1
S 5.119123 0.424278 -0.755980
F 5.794588 0.688023 0.654837
O -0.622055 -2.752512 1.007307
O 5.758731 -0.776783 -1.204103
O 5.272468 1.682463 -1.426882
N -0.549156 -0.462223 0.723022
N -5.239179 2.641377 0.856848
C -2.662273 -1.546475 1.405703
C -3.439579 -0.586747 0.547353
C 0.813238 -0.303821 0.362048
C -1.202906 -1.690273 1.022553
C 3.489912 0.147822 -0.331695
C -3.917523 0.605903 1.100096
C 1.255909 1.008752 0.059862
C 1.717275 -1.384138 0.305861
C -3.667906 -0.894102 -0.799578
C 2.585347 1.219177 -0.282918
C 3.042905 -1.150045 -0.040133
C -4.664212 1.490563 0.291302
C -4.396800 -0.002753 -1.596539
C -4.892441 1.186396 -1.071870
H -2.725004 -1.277747 2.484382
H -3.134493 -2.559448 1.351868
H -1.121745 0.391980 0.712172
H -3.752366 0.834009 2.147924
H 0.566326 1.849196 0.090082
H 1.377871 -2.403475 0.529909
H -3.291118 -1.820147 -1.226359
H 2.927460 2.234100 -0.524352
H 3.743148 -1.994508 -0.090808
H -4.577177 -0.246031 -2.645336
H -5.465772 1.863946 -1.697848
H -4.874042 2.974524 1.734041
H -5.539156 3.375817 0.235832


%chk=000270822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270822

0 1
S 5.143961 0.597813 -0.688235
F 5.304547 1.964661 0.568336
O -0.569388 -2.495805 1.968805
O 6.141156 -0.562510 -0.194964
O 5.295536 1.315026 -2.119970
N -0.647021 -0.838256 0.304122
N -4.836293 2.679600 1.414667
C -2.769063 -1.849807 1.092608
C -3.470474 -0.667818 0.441391
C 0.719195 -0.542895 0.113512
C -1.228327 -1.760145 1.180604
C 3.374660 0.140842 -0.364964
C -3.843833 0.448856 1.224230
C 1.041029 0.460875 -0.847235
C 1.759911 -1.203950 0.829747
C -3.716598 -0.656817 -0.958323
C 2.376963 0.816029 -1.091643
C 3.101636 -0.852924 0.590508
C -4.467441 1.586779 0.634499
C -4.336068 0.470926 -1.549315
C -4.707478 1.584171 -0.772921
H -3.115254 -2.010145 2.128473
H -2.990779 -2.785669 0.543870
H -1.318555 -0.302828 -0.260558
H -3.654530 0.437772 2.305620
H 0.239989 0.965988 -1.399132
H 1.501838 -1.972364 1.560249
H -3.458025 -1.528988 -1.569791
H 2.637060 1.581157 -1.829051
H 3.914256 -1.351550 1.127966
H -4.538469 0.476824 -2.626291
H -5.189930 2.449011 -1.244077
H -4.674765 2.685812 2.417620
H -5.290048 3.487427 0.998242


