%chk=000237943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237943

0 1
O 0.744903 -0.390804 0.152328
O -0.040714 -0.224580 -1.968761
O -2.938641 -1.326035 -0.798341
O -3.421540 0.111896 -2.467812
O -5.419341 2.756984 0.483141
O -5.277596 0.742036 -0.294646
N -4.793565 1.770835 0.136986
C 3.118584 -0.517330 0.331439
C 1.886509 -1.216186 -0.294006
C 3.126899 0.964869 0.016401
C 1.652411 -2.602850 0.248970
C 4.405544 -1.179427 -0.166533
C 3.226317 1.890360 1.066619
C 3.039355 1.429364 -1.305023
C 2.064948 -3.715852 -0.498108
C 1.032895 -2.785619 1.492960
C -0.120843 0.075433 -0.803502
C 3.236247 3.261999 0.797184
C 3.045886 2.801049 -1.569325
C 1.865745 -5.004118 0.005502
C 0.830630 -4.076303 1.989045
C -1.084072 1.007400 -0.140380
C 3.143364 3.720810 -0.519882
C 1.249688 -5.185995 1.248252
C -2.463757 0.928203 -0.375522
C -0.560437 1.987899 0.719648
C -3.312427 1.831427 0.286616
C -1.413920 2.898061 1.346408
C -2.791039 2.822248 1.134770
C -3.010359 -0.076234 -1.353940
H 3.055032 -0.653865 1.443585
H 1.916826 -1.202934 -1.409279
H 5.287418 -0.699148 0.277082
H 4.440297 -2.242400 0.104203
H 4.516043 -1.106911 -1.254697
H 3.304351 1.543045 2.095345
H 2.963483 0.722883 -2.131027
H 2.535300 -3.581893 -1.471091
H 0.696796 -1.916332 2.059702
H 3.322976 3.974135 1.616348
H 2.975188 3.154180 -2.597910
H 2.186851 -5.868282 -0.574150
H 0.343720 -4.216868 2.952899
H 3.152143 4.788531 -0.729449
H 1.093083 -6.191086 1.636396
H 0.524621 2.028326 0.891726
H -1.004997 3.667336 2.005282
H -3.474319 3.529738 1.623355
H -3.295086 -2.033892 -1.409908


%chk=000237943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237943

0 1
O 0.811281 -0.229692 0.388838
O -0.447097 -0.746121 -1.506649
O -3.351547 -1.250072 -1.230610
O -3.002018 0.462700 -2.777095
O -5.650644 2.906203 0.092966
O -5.379421 0.974187 -1.081935
N -4.942069 1.904598 -0.305707
C 3.238104 -0.435997 0.379043
C 1.932306 -1.107936 -0.119883
C 3.315568 1.038469 -0.023731
C 1.716029 -2.528432 0.374731
C 4.467399 -1.229354 -0.140573
C 3.522146 2.036333 0.960958
C 3.216413 1.440406 -1.381514
C 1.591451 -3.589663 -0.553781
C 1.639728 -2.811677 1.762778
C -0.314471 -0.131900 -0.421679
C 3.629036 3.400640 0.605081
C 3.316333 2.801767 -1.741823
C 1.412443 -4.917835 -0.105887
C 1.452315 -4.136076 2.211921
C -1.324315 0.815466 0.156799
C 3.524436 3.788613 -0.749837
C 1.343894 -5.194497 1.278496
C -2.637552 0.877339 -0.393167
C -0.952069 1.669455 1.226476
C -3.535314 1.813168 0.178123
C -1.866764 2.599268 1.758942
C -3.169794 2.674735 1.234312
C -3.015364 0.042067 -1.604632
H 3.240065 -0.490054 1.485584
H 1.883160 -1.089719 -1.224198
H 5.398812 -0.763871 0.225181
H 4.440647 -2.278349 0.202450
H 4.504634 -1.227909 -1.245828
H 3.603853 1.741031 2.014967
H 3.056103 0.692716 -2.168358
H 1.622108 -3.373334 -1.628060
H 1.706994 -1.993885 2.489578
H 3.793309 4.156811 1.381297
H 3.231021 3.093881 -2.794515
H 1.317226 -5.731450 -0.833269
H 1.387750 -4.345378 3.285539
H 3.603500 4.844717 -1.030498
H 1.199358 -6.222868 1.627882
H 0.066430 1.596539 1.615224
H -1.567539 3.260160 2.577563
H -3.912645 3.377462 1.620126
H -3.553832 -1.788557 -2.042728


