%chk=000229950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229950

0 1
O 1.383210 -2.445042 -0.081605
N -1.486337 2.007587 1.486886
N -5.526547 0.696726 -0.302558
C 2.380435 0.960323 0.186970
C 1.365117 -0.037321 0.307583
C 3.631136 0.309118 -0.241719
C 3.386965 -1.093983 -0.389742
C 1.954034 -1.385542 -0.058437
C -0.220338 1.633278 0.981748
C 0.084784 0.267383 0.696527
C 2.082954 2.284120 0.463968
C 0.776906 2.621293 0.854444
C -2.664397 1.140959 1.254771
C 4.887685 0.831075 -0.493139
C 4.391303 -1.955566 -0.783398
C -3.126641 1.128167 -0.215923
C 5.909964 -0.054811 -0.895376
C 5.671372 -1.418704 -1.038579
C -4.272326 0.169800 -0.390694
C -4.048633 -1.202024 -0.624142
C -5.150746 -2.046093 -0.773006
C -6.586596 -0.139656 -0.450063
C -6.441954 -1.515990 -0.686265
H -0.670071 -0.511402 0.796377
H 2.842242 3.060152 0.380003
H 0.545824 3.661660 1.072407
H -2.436884 0.105686 1.599224
H -3.489460 1.512495 1.907943
H -1.702346 3.003950 1.420437
H 5.091711 1.892633 -0.385655
H 4.201993 -3.023720 -0.894481
H -2.286947 0.852192 -0.886974
H -3.433980 2.150557 -0.528376
H 6.904727 0.345010 -1.095989
H 6.474930 -2.083842 -1.349568
H -3.036019 -1.593981 -0.689846
H -5.004359 -3.111144 -0.955820
H -7.576514 0.325488 -0.373862
H -7.315398 -2.152229 -0.799469


%chk=000229950-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229950

0 1
O 1.481365 -2.383319 -0.431439
N -1.509952 2.038018 1.066398
N -5.558747 0.597105 0.131843
C 2.525486 1.011714 0.205008
C 1.489041 0.035231 0.138944
C 3.812516 0.358959 -0.139085
C 3.560788 -1.021611 -0.420697
C 2.089935 -1.288934 -0.262342
C -0.198635 1.672807 0.767070
C 0.149394 0.329893 0.406880
C 2.189687 2.333309 0.556023
C 0.842224 2.654414 0.832502
C -2.665998 1.142269 1.000074
C 5.125784 0.857763 -0.218682
C 4.590544 -1.903927 -0.778606
C -3.201355 0.909386 -0.448313
C 6.172098 -0.033912 -0.580289
C 5.914840 -1.398708 -0.858267
C -4.439286 0.035725 -0.433567
C -4.440468 -1.288047 -0.942552
C -5.626736 -2.053398 -0.877211
C -6.695634 -0.153440 0.188902
C -6.781809 -1.477146 -0.301608
H -0.600136 -0.464062 0.339561
H 2.952403 3.117451 0.619595
H 0.580080 3.683472 1.109903
H -2.411689 0.170351 1.465021
H -3.487119 1.578055 1.595862
H -1.688074 3.021853 1.265755
H 5.349372 1.909351 -0.007871
H 4.366943 -2.955302 -0.988743
H -2.412730 0.458258 -1.075773
H -3.458180 1.894285 -0.879603
H 7.199589 0.342508 -0.645302
H 6.741151 -2.062262 -1.134430
H -3.528604 -1.704063 -1.383927
H -5.648630 -3.076277 -1.268080
H -7.566271 0.333386 0.644312
H -7.722388 -2.032554 -0.232662


