%chk=000245409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245409

0 1
O -1.543112 -1.479867 -1.098982
O 0.684296 -0.838109 -0.150883
O 4.238026 -0.363941 -0.311929
O 0.010522 0.919507 1.101776
O -1.625299 -2.715114 0.809579
C -1.589546 -0.182175 -0.436940
C -1.711365 0.776829 -1.634316
C -2.771394 -0.107070 0.534523
C -1.998647 2.207491 -1.167731
C -3.044773 1.338918 0.961452
C -3.229381 2.258857 -0.252179
C -0.250117 0.062611 0.291198
C 2.893204 0.166138 -0.364145
C 2.947232 1.590470 0.207536
C 2.013516 -0.800171 0.447414
C 4.258600 1.661997 1.006874
C 5.030167 0.384870 0.649285
C -1.513695 -2.668086 -0.390141
C -1.351519 -3.777089 -1.369092
H -0.795029 0.734578 -2.254052
H -2.528040 0.410456 -2.291220
H -3.664285 -0.541615 0.042397
H -2.581807 -0.745757 1.425366
H -1.117393 2.611197 -0.626842
H -2.147925 2.862295 -2.046524
H -2.198301 1.704712 1.584045
H -3.940174 1.372990 1.609170
H -4.135031 1.966212 -0.816668
H -3.401768 3.297797 0.087050
H 2.625822 0.126790 -1.441335
H 2.064596 1.812402 0.841492
H 2.936931 2.338582 -0.603402
H 1.938738 -0.539246 1.515753
H 2.351409 -1.847306 0.330021
H 4.058891 1.719181 2.091269
H 4.832530 2.568456 0.750495
H 5.188757 -0.283482 1.510057
H 5.982182 0.569269 0.126671
H -2.057465 -4.594942 -1.159186
H -1.501215 -3.446964 -2.409938
H -0.332837 -4.195770 -1.305919


%chk=000245409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245409

0 1
O -1.782785 -1.605883 -1.129044
O 0.764895 -0.789750 -0.496183
O 4.447258 -0.212447 -0.138409
O -0.036960 0.311232 1.400722
O -1.124731 -2.754558 0.792160
C -1.599497 -0.274741 -0.442220
C -1.603907 0.734524 -1.619445
C -2.785897 -0.035347 0.520873
C -1.686410 2.199270 -1.130539
C -2.915073 1.442749 0.969183
C -2.929314 2.413269 -0.233978
C -0.239713 -0.233189 0.292922
C 3.058340 0.176779 -0.514469
C 2.854085 1.606932 0.036827
C 2.130860 -0.889454 0.099549
C 3.781500 1.635170 1.280438
C 4.990281 0.803976 0.806086
C -1.515423 -2.765947 -0.397744
C -1.734689 -3.991003 -1.255959
H -0.712279 0.561691 -2.247315
H -2.494926 0.502274 -2.233825
H -3.700555 -0.333601 -0.028919
H -2.685756 -0.693614 1.400636
H -0.772168 2.466829 -0.562937
H -1.722130 2.869607 -2.010105
H -2.072311 1.690725 1.638459
H -3.845437 1.551657 1.558698
H -3.845320 2.246209 -0.838313
H -2.965771 3.459802 0.124210
H 2.985234 0.131297 -1.616546
H 1.802183 1.812694 0.292185
H 3.191713 2.348660 -0.709855
H 2.058607 -0.788491 1.195850
H 2.489352 -1.894380 -0.171465
H 3.282356 1.154664 2.140797
H 4.065013 2.659641 1.574893
H 5.504569 0.260922 1.617483
H 5.725110 1.431284 0.262849
H -1.740115 -4.890909 -0.624018
H -2.679278 -3.910348 -1.818292
H -0.915612 -4.072293 -1.993244


