%chk=000274788.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274788

0 1
O 0.703475 3.416767 1.791671
O 0.048062 0.470493 -2.430000
O -4.898400 -3.497393 0.745808
O -6.118960 -1.824312 0.120397
N 0.422522 1.203698 -0.294077
N -5.044072 -2.378496 0.282205
C 1.678087 1.954473 -0.659427
C 2.771567 0.973690 -1.125768
C -0.007131 1.292059 1.119273
C 3.302143 0.101822 0.017106
C -0.526519 2.697631 1.541951
C 4.417247 -0.834570 -0.468371
C 1.373349 2.994990 -1.741931
C 4.952082 -1.709459 0.672985
C -0.299532 0.512614 -1.258992
C -1.296272 2.595673 2.862840
C -1.335871 3.424015 0.473781
C 6.064400 -2.649174 0.186307
C -1.540413 -0.228374 -0.812199
C 6.601544 -3.523060 1.317557
C -1.420886 -1.520499 -0.283049
C -2.798006 0.356894 -1.004795
C -2.567261 -2.231653 0.072844
C -3.950488 -0.345913 -0.650190
C -3.823749 -1.632697 -0.105836
H 2.018539 2.491823 0.271651
H 2.379380 0.337630 -1.948613
H 3.601955 1.551012 -1.576882
H 0.870542 1.048498 1.770685
H -0.783813 0.530694 1.345340
H 3.679714 0.741989 0.838037
H 2.476148 -0.494179 0.450309
H 5.243088 -0.241772 -0.906891
H 4.039354 -1.474462 -1.289521
H 0.545519 3.653505 -1.436681
H 2.245188 3.625018 -1.942273
H 1.081578 2.516279 -2.690528
H 4.128101 -2.302360 1.113694
H 5.334100 -1.070397 1.492123
H -0.675587 2.152876 3.652211
H -1.607603 3.581329 3.226868
H -2.203618 1.990369 2.766750
H -0.707875 3.645006 -0.410504
H -1.735299 4.377552 0.833291
H -2.184374 2.823062 0.130662
H 5.683724 -3.290443 -0.632765
H 6.891148 -2.057527 -0.253427
H 0.535855 4.345361 2.030750
H 5.815636 -4.152578 1.749839
H 7.021569 -2.919149 2.129845
H 7.395116 -4.188962 0.960279
H -0.434933 -1.974780 -0.162779
H -2.878023 1.350825 -1.449710
H -2.498667 -3.245050 0.484428
H -4.945279 0.090312 -0.794778


%chk=000274788-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274788

0 1
O 0.461744 4.008236 1.446005
O 0.076767 0.696375 -2.370454
O -4.404009 -3.765748 1.058102
O -5.761974 -2.583315 -0.343432
N 0.492469 1.462591 -0.195111
N -4.622960 -2.801679 0.225741
C 1.779284 2.143751 -0.604664
C 2.840819 1.113365 -1.071288
C 0.040485 1.648291 1.201150
C 3.218386 0.055196 -0.011076
C -0.639588 3.009806 1.526251
C 4.331003 -0.899396 -0.499396
C 1.551334 3.258530 -1.649692
C 4.723665 -1.976483 0.537116
C -0.216361 0.724635 -1.127634
C -1.171480 2.962146 2.976988
C -1.755746 3.371898 0.526743
C 5.849692 -2.913015 0.042884
C -1.378177 -0.141582 -0.673992
C 6.242277 -3.986280 1.081189
C -1.188330 -1.226976 0.223031
C -2.641276 0.033770 -1.296411
C -2.244695 -2.110200 0.515600
C -3.713751 -0.827409 -1.001358
C -3.499529 -1.888051 -0.092448
H 2.137995 2.626009 0.322081
H 2.490405 0.618580 -1.995110
H 3.748205 1.691206 -1.342274
H 0.913866 1.549248 1.872225
H -0.679444 0.857112 1.461581
H 3.551958 0.559435 0.921232
H 2.321521 -0.541993 0.257016
H 5.229519 -0.303671 -0.765217
H 3.999776 -1.394061 -1.435986
H 0.848752 4.013605 -1.258633
H 2.512365 3.766363 -1.853200
H 1.164225 2.844474 -2.594082
H 3.830902 -2.584784 0.794785
H 5.046061 -1.483314 1.478435
H -0.356610 2.713677 3.680128
H -1.584941 3.945967 3.268495
H -1.977721 2.214554 3.090095
H -1.350399 3.453838 -0.495672
H -2.217307 4.340708 0.796778
H -2.555320 2.608929 0.526977
H 5.526353 -3.405344 -0.896842
H 6.739867 -2.304128 -0.216519
H 0.091574 4.907258 1.639068
H 5.378064 -4.629991 1.332927
H 6.595585 -3.518754 2.019934
H 7.050626 -4.639730 0.704473
H -0.204088 -1.393178 0.675046
H -2.766442 0.839887 -2.025916
H -2.119258 -2.956558 1.195833
H -4.698037 -0.703100 -1.459998


