%chk=000112205.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112205

0 1
O 0.519276 0.654307 -0.754992
O 2.169018 0.376804 0.788652
O -5.138197 -2.578822 0.737853
N -4.184637 -0.219009 -0.614343
C 1.743920 1.296745 -0.258808
C -5.421183 -0.203293 0.221827
C -3.965829 -1.588288 -1.167631
C -3.056738 0.510494 -0.157730
C 2.630343 1.324617 -1.482876
C -0.695121 1.012530 -0.238459
C -0.860134 2.164896 0.564703
C 1.529739 2.577061 0.477632
C -1.763553 0.183928 -0.603014
C -5.367128 -1.279051 1.319525
C -3.931244 -2.644144 -0.051019
C 0.306686 2.963987 0.880466
C -3.239217 1.663808 0.661638
C 3.543040 0.357507 -1.693213
C -2.163660 2.465462 1.003678
C 2.999312 -0.672960 0.476802
C 3.723328 -0.720617 -0.732879
C 2.376111 2.447175 -2.427595
C 3.124476 -1.662046 1.469013
C 4.589440 -1.808945 -0.940323
C 3.992552 -2.721791 1.231110
C 4.721512 -2.798335 0.031038
H -6.281285 -0.394852 -0.461018
H -5.582886 0.806046 0.660283
H -3.033603 -1.618592 -1.774400
H -4.807010 -1.796594 -1.868603
H 2.435784 3.134151 0.700552
H -1.564989 -0.683915 -1.227767
H -4.579133 -1.073221 2.065013
H -6.340108 -1.417708 1.823516
H -3.965378 -3.676178 -0.442978
H -3.057953 -2.519265 0.613272
H 0.151782 3.887110 1.441314
H -4.237070 1.925236 1.007556
H 4.179887 0.350166 -2.577942
H -2.322805 3.347291 1.627088
H 1.325746 2.441788 -2.763276
H 3.004487 2.394047 -3.325766
H 2.559683 3.423181 -1.954553
H 2.547583 -1.579782 2.386928
H 5.157387 -1.872744 -1.867837
H 4.108866 -3.503920 1.981402
H 5.392404 -3.637763 -0.135642


%chk=000112205-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112205

0 1
O 0.616054 0.727869 -0.838491
O 2.399091 0.708776 0.778426
O -6.121049 -2.520685 -0.185561
N -3.937782 -0.637101 0.150614
C 1.866448 1.443103 -0.410340
C -5.224954 -0.431670 0.847021
C -4.075220 -1.448953 -1.083379
C -2.904869 0.321479 0.261657
C 2.779272 1.351200 -1.624959
C -0.593900 1.016229 -0.180885
C -0.765009 2.234644 0.538646
C 1.579536 2.831737 0.101446
C -1.625818 0.078230 -0.322317
C -5.935779 -1.780916 1.070526
C -4.803233 -2.770381 -0.791037
C 0.349402 3.166963 0.593550
C -3.090012 1.544292 0.986866
C 3.683411 0.329476 -1.716286
C -2.038722 2.466769 1.115777
C 3.192615 -0.434407 0.582924
C 3.866015 -0.651126 -0.651634
C 2.539899 2.354574 -2.727280
C 3.353421 -1.310402 1.675109
C 4.708056 -1.788514 -0.767239
C 4.194519 -2.435787 1.535143
C 4.871511 -2.679155 0.312777
H -5.890601 0.250332 0.269496
H -5.040222 0.021770 1.836203
H -3.084796 -1.670878 -1.509037
H -4.651818 -0.879479 -1.847360
H 2.431140 3.516769 0.146560
H -1.397908 -0.844961 -0.860498
H -5.343148 -2.396825 1.781626
H -6.948815 -1.621605 1.475273
H -5.004554 -3.321788 -1.723941
H -4.189872 -3.397975 -0.108707
H 0.183583 4.157416 1.034402
H -4.061921 1.790635 1.421323
H 4.298629 0.232166 -2.619651
H -2.209497 3.400870 1.665194
H 1.503125 2.274369 -3.106323
H 3.232783 2.189443 -3.570339
H 2.665891 3.395128 -2.371920
H 2.823269 -1.100979 2.609123
H 5.233190 -1.966281 -1.713846
H 4.320902 -3.123218 2.378771
H 5.521239 -3.554651 0.210777


