%chk=000213131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213131

0 1
O 1.778281 -0.392641 -1.071305
N -1.182259 0.073125 0.505555
N -4.006658 0.074835 -0.207306
C 0.004005 0.457165 1.353959
C -2.197892 -0.681523 1.314560
C -1.835896 1.279693 -0.104363
C -3.352227 -1.132322 0.397261
C -2.994964 0.831697 -1.016613
C 0.778949 -0.797575 1.831358
C 0.954630 1.330690 0.567535
C 0.882847 -1.851018 0.774914
C 1.742547 0.862493 -0.487947
C 1.080247 2.686586 0.930076
C -5.158977 -0.333530 -1.065694
C 1.283812 -1.577430 -0.541383
C 1.953496 3.545665 0.262220
C 2.635684 1.717771 -1.177924
C 0.536974 -3.179681 1.081563
C 2.734008 3.047466 -0.802970
C 1.322329 -2.579073 -1.534692
C 0.585910 -4.185327 0.117022
C 2.074356 4.981707 0.657175
C 0.972142 -3.881104 -1.195651
H -0.326236 1.017019 2.273387
H -2.603731 -0.083759 2.159493
H -1.711129 -1.584294 1.741052
H -1.082849 1.814866 -0.723712
H -2.212346 1.995486 0.657789
H -2.963250 -1.842636 -0.365476
H -4.109947 -1.673984 1.001228
H -3.491153 1.728801 -1.443010
H -2.589935 0.239439 -1.866578
H 0.296199 -1.203648 2.742878
H 1.797876 -0.491774 2.155921
H 0.474595 3.068896 1.751898
H -4.901179 -0.988933 -1.910539
H -5.645309 0.571011 -1.464483
H -5.904723 -0.850127 -0.440750
H 3.227730 1.308868 -1.995974
H 0.225988 -3.427649 2.095893
H 3.417880 3.711731 -1.329658
H 1.625726 -2.312311 -2.545148
H 0.319797 -5.205770 0.380752
H 3.099793 5.222653 0.972263
H 1.825042 5.647922 -0.181116
H 1.411349 5.251181 1.489099
H 0.998170 -4.664258 -1.951657


%chk=000213131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213131

0 1
O 1.567926 -0.397471 -1.171070
N -1.238038 0.134107 0.494182
N -4.055179 0.062608 -0.249019
C -0.039828 0.482674 1.313947
C -2.208572 -0.733732 1.211720
C -1.938771 1.337582 -0.029152
C -3.363344 -1.135547 0.279184
C -3.089129 0.931387 -0.961513
C 0.705116 -0.787389 1.825543
C 0.927164 1.360513 0.531413
C 0.882711 -1.874859 0.778418
C 1.658184 0.882583 -0.585325
C 1.144134 2.702790 0.935476
C -5.223198 -0.282181 -1.080465
C 1.251174 -1.636678 -0.572506
C 2.022765 3.581174 0.260720
C 2.532186 1.745461 -1.290060
C 0.649035 -3.225004 1.154259
C 2.711714 3.076108 -0.873920
C 1.370238 -2.705147 -1.494945
C 0.774943 -4.299887 0.250821
C 2.222538 5.014544 0.722002
C 1.134446 -4.031911 -1.090813
H -0.345943 1.063466 2.224290
H -2.630359 -0.213109 2.109345
H -1.702084 -1.654472 1.546265
H -1.219130 1.957878 -0.589568
H -2.353645 1.957183 0.806621
H -2.947714 -1.768290 -0.546411
H -4.091990 -1.746590 0.845205
H -3.616535 1.840533 -1.307516
H -2.657568 0.417294 -1.858497
H 0.164028 -1.219551 2.686738
H 1.683713 -0.449726 2.218319
H 0.585607 3.070327 1.806517
H -4.958420 -0.868540 -1.997526
H -5.735801 0.642192 -1.403040
H -5.938650 -0.880649 -0.487755
H 3.064067 1.342271 -2.157326
H 0.360176 -3.425375 2.194276
H 3.396906 3.727774 -1.429481
H 1.654220 -2.463409 -2.523680
H 0.590884 -5.326338 0.584857
H 3.270846 5.198635 1.025150
H 1.987764 5.734823 -0.084330
H 1.578266 5.255824 1.584936
H 1.232843 -4.847474 -1.815384


