%chk=000212635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212635

2 1
O 5.627060 0.896780 -1.537111
O -5.626907 -0.889705 -1.541358
O 9.041131 -0.444502 3.620395
O -9.041736 0.429202 3.621528
O 11.067299 0.197022 2.849349
O -11.067797 -0.208866 2.847339
N 7.280653 -0.612686 -0.015009
N -7.280598 0.613064 -0.012800
C 0.741574 0.009027 -0.740365
C -0.741460 -0.005503 -0.740435
C 3.551526 0.012606 -0.781676
C -3.551410 -0.008900 -0.781894
C 5.843204 -0.978896 -0.098263
C -5.843119 0.979562 -0.094211
C 5.020988 0.083997 -0.879326
C -5.020869 -0.079868 -0.879921
C 1.460730 -1.051373 -0.158846
C -1.460645 1.052259 -0.154168
C 1.432102 1.074219 -1.336342
C -1.431957 -1.067993 -1.341252
C 2.854102 -1.048861 -0.177401
C -2.854017 1.049828 -0.172800
C 2.827221 1.073435 -1.361537
C -2.827076 -1.067097 -1.366508
C 7.894234 -0.540433 1.216240
C -7.894399 0.535497 1.218018
C 7.985620 -0.320194 -1.170399
C -7.985375 0.325636 -1.169570
C 9.242654 -0.182580 1.301427
C -9.242855 0.177363 1.301410
C 9.330014 0.041325 -1.096528
C -9.329807 -0.036113 -1.097511
C 9.977719 0.115380 0.141703
C -9.977736 -0.115503 0.140270
C 9.927322 -0.106309 2.633456
C -9.927763 0.095333 2.632973
H 5.731643 -1.969730 -0.612126
H 5.411641 -1.117533 0.923449
H -5.731444 1.972694 -0.603590
H -5.411675 1.113559 0.928171
H 0.923855 -1.879511 0.310598
H -0.923794 1.878269 0.319038
H 0.882058 1.900080 -1.795738
H -0.881891 -1.891770 -1.804348
H 3.385622 -1.886818 0.274481
H -3.385559 1.885736 0.282836
H 3.368752 1.900353 -1.839797
H -3.368581 -1.891849 -1.848524
H 7.314956 -0.770859 2.133609
H -7.315266 0.761890 2.136480
H 7.449261 -0.359755 -2.139822
H -7.448842 0.369360 -2.138716
H 9.877234 0.273675 -2.025460
H -9.876874 -0.264395 -2.027541
H 11.042536 0.401465 0.217169
H -11.042585 -0.401847 0.214307
H 9.455442 -0.411647 4.540320
H -9.456216 0.392382 4.541227


%chk=000212635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212635

2 1
O 5.675208 1.327347 -0.997443
O -5.675359 -1.322341 -1.005510
O 9.180378 -0.839393 3.523189
O -9.178762 0.824297 3.526182
O 11.201538 0.016539 2.713640
O -11.200157 -0.028625 2.714042
N 7.368952 -0.631524 -0.158207
N -7.369187 0.632534 -0.156990
C 0.743526 0.032269 -0.597598
C -0.743792 -0.029123 -0.598057
C 3.601722 0.146557 -0.609042
C -3.601983 -0.143270 -0.611260
C 5.932342 -0.991838 -0.286230
C -5.932702 0.993661 -0.284124
C 5.078098 0.270266 -0.652208
C -5.078346 -0.266759 -0.655553
C 1.522831 -1.114537 -0.268208
C -1.523211 1.116269 -0.264038
C 1.426649 1.238260 -0.933019
C -1.426800 -1.233624 -0.939024
C 2.927193 -1.060887 -0.269437
C -2.927572 1.062672 -0.266118
C 2.827634 1.295973 -0.942503
C -2.827783 -1.291247 -0.949381
C 7.987262 -0.685564 1.069586
C -7.986880 0.681173 1.071337
C 8.033107 -0.147769 -1.266865
C -8.033833 0.153472 -1.267391
C 9.321473 -0.276124 1.209687
C -9.320955 0.270918 1.210366
C 9.369497 0.267962 -1.167279
C -9.370113 -0.262880 -1.168906
C 10.027168 0.207952 0.078392
C -10.027159 -0.208364 0.077349
C 10.021784 -0.338499 2.538107
C -10.020578 0.327435 2.539409
H 5.816481 -1.752999 -1.079590
H 5.594525 -1.436063 0.663125
H -5.817297 1.758016 -1.074476
H -5.594646 1.434160 0.666877
H 1.026446 -2.045692 0.022523
H -1.026907 2.046131 0.030942
H 0.856995 2.126469 -1.223896
H -0.857056 -2.120574 -1.233538
H 3.480250 -1.968477 -0.002756
H -3.480737 1.969112 0.004245
H 3.348661 2.219240 -1.214917
H -3.348721 -2.213297 -1.226055
H 7.414356 -1.059015 1.920416
H -7.413591 1.051043 1.923474
H 7.478794 -0.123653 -2.205215
H -7.480009 0.133487 -2.206127
H 9.877039 0.636530 -2.061067
H -9.878062 -0.627655 -2.064019
H 11.068657 0.523875 0.198459
H -11.068538 -0.524964 0.196574
H 9.640461 -0.884214 4.404805
H -9.638389 0.865257 4.408223


