%chk=000218353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218353

0 1
O 4.528375 0.057115 0.001242
N -5.384371 -0.345247 0.036058
C -1.126043 0.531515 -0.008128
C -1.761580 -0.085735 1.255903
C -1.750260 -0.077055 -1.282573
C -3.904466 -0.516496 -0.020693
C -3.282574 0.097879 1.251001
C -3.271710 0.106506 -1.289680
C 0.375191 0.347579 -0.004607
C 1.213703 1.479506 -0.011652
C 0.951861 -0.927977 0.005227
C 2.596575 1.344267 -0.009404
C 2.341136 -1.095364 0.007788
C 3.148776 0.046504 0.000430
C 5.212844 -1.217725 0.015224
H -1.359494 1.627222 -0.004847
H -1.325964 0.382784 2.158435
H -1.511422 -1.161145 1.324865
H -1.499943 -1.152329 -1.354164
H -1.305258 0.397119 -2.177446
H -3.707092 -1.620923 -0.024033
H -3.729525 -0.379967 2.145115
H -3.538026 1.171118 1.326241
H -3.520051 1.182113 -1.350823
H -3.699164 -0.358098 -2.196343
H -5.828275 -0.728650 -0.792311
H -5.645267 0.634013 0.088803
H 0.775397 2.477815 -0.018602
H 0.313635 -1.811974 0.011638
H 3.257285 2.207572 -0.014497
H 2.765213 -2.092793 0.015872
H 6.265839 -0.907167 0.014238
H 4.972274 -1.788685 -0.885935
H 4.968781 -1.770694 0.926659


%chk=000218353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218353

0 1
O 4.639048 0.069482 0.008825
N -5.446981 -0.343139 0.035341
C -1.130082 0.528135 -0.014971
C -1.796349 -0.085495 1.251323
C -1.776047 -0.078889 -1.294308
C -3.975499 -0.510706 -0.029775
C -3.332715 0.085731 1.242391
C -3.312206 0.103522 -1.295713
C 0.388629 0.372846 -0.005628
C 1.241800 1.508487 -0.009990
C 1.001520 -0.905000 0.004546
C 2.643754 1.380151 -0.004882
C 2.406003 -1.058804 0.009970
C 3.232165 0.092467 0.004917
C 5.288288 -1.241650 0.019530
H -1.362895 1.614995 -0.014307
H -1.365310 0.378903 2.158838
H -1.549036 -1.165997 1.302131
H -1.533488 -1.160891 -1.342887
H -1.329391 0.385141 -2.194561
H -3.773499 -1.602800 -0.033531
H -3.786127 -0.390817 2.130836
H -3.582536 1.168532 1.292116
H -3.558573 1.186933 -1.327650
H -3.751431 -0.353234 -2.205744
H -5.942763 -0.785946 -0.748125
H -5.727397 0.641438 0.132634
H 0.798710 2.512098 -0.017499
H 0.377671 -1.807235 0.008782
H 3.299069 2.256765 -0.008218
H 2.837395 -2.064611 0.018070
H 6.367478 -1.028568 0.021400
H 5.026356 -1.830617 -0.881688
H 5.020839 -1.818621 0.926830


