%chk=000244875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244875

0 1
O -0.299680 0.198073 -1.227376
O -1.870168 -1.190257 2.307376
O -0.338700 0.793670 2.275607
O -4.309511 -0.515494 1.909546
O -3.103237 1.414426 -0.963089
O -3.337192 -0.991502 -1.827329
N 1.534364 0.416640 0.227858
N 3.222659 1.910392 0.716638
N 2.946126 -1.359293 -0.859759
N 5.318493 -0.756298 -0.890483
C -2.099742 -0.442483 1.109113
C -0.871229 0.499232 1.001159
C -3.414881 0.364018 1.200434
C 0.190824 -0.167752 0.072590
C -4.028411 0.655951 -0.194640
C -4.416116 -0.631239 -0.956062
C 2.727042 -0.160484 -0.239276
C 1.908472 1.683570 0.791922
C 3.778494 0.785131 0.078779
C -0.158985 -0.808367 -2.257665
C 5.092852 0.426582 -0.279911
C 4.251735 -1.592768 -1.152183
H -2.144602 -1.181476 0.269061
H -1.148374 1.503665 0.583496
H -3.277287 1.305091 1.776643
H 0.263316 -1.278111 0.194495
H -4.899023 1.344490 -0.092873
H -5.343216 -0.502958 -1.538123
H -4.521967 -1.505378 -0.281038
H -2.740001 -1.425333 2.734946
H -0.380068 -0.014109 2.868453
H 1.167346 2.331681 1.253507
H -4.921574 0.001572 2.473927
H -2.311804 0.852267 -1.231604
H 0.824510 -1.290666 -2.221420
H -0.262518 -0.225178 -3.180445
H -0.972487 -1.535668 -2.146905
H 5.950364 1.080866 -0.078459
H -3.313301 -0.372486 -2.595771
H 4.492578 -2.546217 -1.650641


%chk=000244875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244875

0 1
O -0.540909 0.263408 -1.292552
O -1.845889 -1.342140 2.368697
O -0.126249 0.508577 2.348441
O -4.292425 -0.605940 2.016955
O -3.057444 1.440852 -0.931710
O -3.458364 -1.283134 -1.659675
N 1.491567 0.513662 0.011073
N 3.171930 2.057848 0.336160
N 2.877174 -1.453891 -0.586120
N 5.282756 -0.949027 -0.565435
C -2.037919 -0.537150 1.155241
C -0.790075 0.413849 1.067472
C -3.362270 0.268092 1.256148
C 0.162144 -0.091334 -0.046568
C -3.980151 0.638257 -0.124046
C -4.521326 -0.575302 -0.925441
C 2.695276 -0.159932 -0.229704
C 1.849744 1.834361 0.351378
C 3.731195 0.810835 -0.024811
C -0.089678 -0.487591 -2.480890
C 5.052544 0.353534 -0.211109
C 4.200302 -1.776852 -0.732768
H -2.084636 -1.205918 0.277003
H -1.118208 1.432428 0.781694
H -3.183091 1.199237 1.832655
H 0.313739 -1.188424 0.001589
H -4.831326 1.318140 0.072739
H -5.297576 -0.219277 -1.631562
H -4.959191 -1.322542 -0.244744
H -2.762637 -1.528537 2.718749
H -0.484429 -0.264807 2.883404
H 1.103862 2.579388 0.615262
H -4.979080 -0.060704 2.472097
H -2.188442 0.954626 -1.091814
H 0.990070 -0.332626 -2.650023
H -0.658282 -0.078985 -3.330933
H -0.298198 -1.566449 -2.357623
H 5.925149 1.001480 -0.082181
H -3.135016 -0.674156 -2.371899
H 4.420459 -2.810056 -1.014651


