%chk=000285758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285758

0 1
O 2.484065 2.492574 0.076188
O 0.766908 4.764659 0.646274
O -5.124641 -1.123239 -0.239976
O 4.680952 -1.413268 0.655722
O 3.300575 -3.864470 -0.149196
O -3.385917 -2.549787 0.113218
N -3.010532 -0.281513 -0.387543
C -0.929091 1.001902 0.050743
C -1.696340 2.185708 0.274752
C -1.579893 -0.273049 -0.226921
C -3.195049 2.091294 0.296312
C 0.488643 1.053224 0.098938
C -3.678917 1.019630 -0.683491
C 1.249926 -0.187919 0.068667
C 0.573096 -1.407467 -0.194806
C -0.852859 -1.420295 -0.372477
C 1.100670 2.340232 0.192445
C -1.082435 3.399567 0.498019
C 0.333842 3.483956 0.441421
C 2.641812 -0.235116 0.346763
C 1.291088 -2.632577 -0.244254
C -3.777406 -1.427827 -0.134274
C 3.332065 -1.430850 0.303583
C 2.651217 -2.649431 -0.000087
C 2.924983 2.495394 -1.313871
C 2.187196 5.005216 0.835100
C -6.035931 -2.266475 -0.037375
C 5.567222 -1.683005 -0.465237
C 4.035624 -4.309374 1.024833
C -7.406884 -1.656726 -0.226865
H -3.668803 3.063771 0.051781
H -3.526080 1.851848 1.332435
H -3.428181 1.304536 -1.732168
H -4.786953 0.905366 -0.628157
H -1.332052 -2.381573 -0.589141
H -1.644654 4.308756 0.704313
H 3.181614 0.679209 0.626404
H 0.767554 -3.564215 -0.460593
H 4.007676 2.620686 -1.212676
H 2.678097 1.540652 -1.788824
H 2.467951 3.330746 -1.849501
H 2.688683 4.975331 -0.135393
H 2.186569 6.013399 1.264896
H 2.621652 4.268876 1.520837
H -5.858245 -2.657604 0.979390
H -5.781795 -3.034598 -0.788195
H 5.496780 -0.868671 -1.190379
H 5.320556 -2.647105 -0.923931
H 6.550616 -1.704215 0.015586
H 4.709596 -3.525165 1.389855
H 3.318889 -4.605787 1.796040
H 4.587161 -5.172551 0.638478
H -8.194513 -2.409669 -0.097907
H -7.591724 -0.848645 0.494312
H -7.518784 -1.219946 -1.228866


%chk=000285758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285758

0 1
O 2.588125 2.485873 0.051965
O 0.983506 4.794020 0.279289
O -5.157955 -1.111370 -0.181069
O 4.822304 -1.534962 0.244363
O 3.313532 -4.026394 -0.031104
O -3.386737 -2.455345 0.544175
N -3.005109 -0.290649 -0.354307
C -0.890126 0.997094 -0.096431
C -1.655775 2.210264 -0.020874
C -1.569095 -0.291928 -0.237746
C -3.171603 2.147478 -0.089822
C 0.562275 1.038038 -0.024617
C -3.614498 0.940046 -0.925661
C 1.321579 -0.220985 -0.033449
C 0.591208 -1.460370 -0.164453
C -0.839508 -1.467288 -0.282468
C 1.176512 2.338599 0.060489
C -1.012230 3.442272 0.128202
C 0.396883 3.511111 0.182944
C 2.743887 -0.309612 0.098524
C 1.288457 -2.706547 -0.155358
C -3.789226 -1.372286 0.043386
C 3.412596 -1.538200 0.089120
C 2.675864 -2.764335 -0.018045
C 3.117837 3.109284 -1.185603
C 1.806901 5.024608 1.489925
C -6.073151 -2.215875 0.225895
C 5.564647 -2.044595 -0.931463
C 4.025968 -4.369556 1.222958
C -7.489309 -1.747520 -0.094387
H -3.574165 3.078183 -0.529505
H -3.600718 2.055237 0.928202
H -3.266264 1.052860 -1.970907
H -4.704623 0.822164 -0.926051
H -1.352320 -2.425611 -0.372496
H -1.580302 4.375585 0.200573
H 3.335654 0.596746 0.217531
H 0.729597 -3.644703 -0.233072
H 4.208200 3.163757 -1.043016
H 2.881607 2.477066 -2.061896
H 2.694367 4.120628 -1.317785
H 2.638218 4.300516 1.544568
H 2.190281 6.051402 1.388505
H 1.176634 4.945768 2.396014
H -5.926873 -2.414636 1.302800
H -5.792966 -3.127714 -0.331644
H 5.398111 -1.382090 -1.802593
H 5.253249 -3.075279 -1.180856
H 6.626574 -2.022057 -0.641876
H 4.779018 -3.600606 1.472124
H 3.301011 -4.469689 2.052906
H 4.509473 -5.339107 1.028662
H -8.213394 -2.533713 0.187202
H -7.739063 -0.830061 0.465923
H -7.603467 -1.541115 -1.172484


