%chk=000248977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248977

0 1
O -4.907081 0.109289 0.324402
O 6.257338 0.792382 0.406601
O -6.219970 1.582274 -0.780801
C -1.562960 -0.011886 -0.705452
C -2.078357 -1.399924 -0.201612
C -0.222740 0.351941 -0.056322
C 0.821789 -0.730569 -0.448108
C 2.186303 -0.452703 0.272205
C -1.091768 -2.459071 -0.720553
C 0.322041 -2.169532 -0.187321
C -2.767382 0.922852 -0.508787
C -3.502630 -1.446664 -0.821477
C -3.979944 0.018820 -0.816628
C 0.260070 1.733998 -0.535145
C 2.577733 1.013827 0.104304
C 3.259384 -1.365456 -0.384160
C -2.213168 -1.488720 1.326261
C 1.707056 1.971936 -0.242056
C 2.090071 -0.735406 1.783273
C 4.001503 1.375415 0.428928
C 4.687703 -1.040518 0.054486
C 5.007800 0.430031 -0.240108
C -5.995287 0.940720 0.219500
C 7.440419 0.402385 -0.308501
C -6.777244 0.884809 1.486453
H -1.386603 -0.091820 -1.810047
H -0.330670 0.374030 1.053797
H 1.000776 -0.631069 -1.547999
H -1.085955 -2.471921 -1.825867
H -1.407632 -3.471072 -0.409557
H 0.344351 -2.377982 0.902501
H 1.030226 -2.887242 -0.644070
H -2.821947 1.305761 0.526235
H -2.731176 1.804195 -1.166067
H -4.187632 -2.086765 -0.239447
H -3.492938 -1.852042 -1.844872
H -4.527017 0.311498 -1.733566
H -0.356219 2.524023 -0.060382
H 0.094714 1.844259 -1.628051
H 3.186044 -1.276253 -1.485881
H 3.036445 -2.423222 -0.147882
H -2.984589 -0.798669 1.694192
H -2.499510 -2.496377 1.641096
H -1.276445 -1.234724 1.834125
H 2.017757 3.011853 -0.340157
H 1.383755 -0.051367 2.267347
H 1.752498 -1.758351 1.982716
H 3.060979 -0.606535 2.274721
H 4.237960 2.419906 0.143471
H 4.150689 1.343757 1.531427
H 4.821878 -1.235115 1.137156
H 5.406855 -1.703970 -0.457954
H 5.086116 0.622057 -1.329947
H 8.245401 0.799297 0.322631
H 7.463984 0.865292 -1.299290
H 7.508471 -0.686646 -0.378450
H -6.831907 1.880533 1.953507
H -6.338797 0.190702 2.220481
H -7.811742 0.562048 1.290803


%chk=000248977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248977

0 1
O -5.108689 0.008691 0.226753
O 6.397955 0.947271 0.192093
O -5.892613 2.001713 -0.703335
C -1.580880 -0.057241 -0.562769
C -2.105261 -1.469068 -0.150213
C -0.228263 0.329907 0.065186
C 0.838087 -0.754741 -0.296353
C 2.237264 -0.460978 0.369981
C -1.065872 -2.504331 -0.638222
C 0.332211 -2.205283 -0.032694
C -2.803845 0.868478 -0.360203
C -3.476915 -1.483055 -0.886670
C -4.006042 -0.022972 -0.798030
C 0.238988 1.715076 -0.439756
C 2.609831 1.025782 0.193237
C 3.324274 -1.325677 -0.358650
C -2.356045 -1.615201 1.376761
C 1.707594 1.972383 -0.183570
C 2.230868 -0.802569 1.892846
C 4.057380 1.411825 0.476633
C 4.779830 -0.970637 0.024125
C 5.064602 0.516136 -0.267677
C -5.988855 1.092228 0.153973
C 7.497848 0.423590 -0.614604
C -7.049100 1.005133 1.232430
H -1.402838 -0.118018 -1.663393
H -0.336769 0.382039 1.168454
H 0.995849 -0.661229 -1.396661
H -1.006615 -2.464232 -1.746563
H -1.371707 -3.535152 -0.368018
H 0.291242 -2.395198 1.056018
H 1.060240 -2.929373 -0.445628
H -2.915373 1.142019 0.706066
H -2.758058 1.804666 -0.940273
H -4.204010 -2.191327 -0.452466
H -3.334756 -1.754325 -1.950946
H -4.448569 0.333416 -1.744433
H -0.365759 2.514588 0.034095
H 0.033536 1.796833 -1.531189
H 3.199404 -1.191984 -1.453985
H 3.146418 -2.396872 -0.145913
H -3.166509 -0.949406 1.720631
H -2.666574 -2.653212 1.602573
H -1.457567 -1.398017 1.979920
H 2.055530 3.008653 -0.311771
H 1.371231 -0.329269 2.400468
H 2.176001 -1.893584 2.060784
H 3.145286 -0.437904 2.391478
H 4.233359 2.467559 0.204031
H 4.289477 1.320191 1.557716
H 4.960617 -1.158099 1.100076
H 5.474624 -1.621743 -0.540722
H 4.984297 0.693514 -1.367020
H 8.408896 0.923334 -0.247719
H 7.358557 0.660458 -1.691927
H 7.618806 -0.673879 -0.503961
H -6.979679 1.892435 1.885888
H -6.935505 0.092342 1.834577
H -8.048633 1.022612 0.764649


