%chk=000228931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228931

0 1
O 3.009995 -0.693910 -0.597473
O 3.124939 1.276983 0.556598
N -1.332987 0.357276 -0.251795
N 1.419091 0.908275 -1.005913
N -5.714762 -1.335827 0.941511
C -0.443600 -0.751139 -0.732820
C -0.538516 1.384360 0.499613
C 0.632741 -0.167074 -1.670679
C 0.546010 1.970447 -0.427474
C -2.456920 -0.174221 0.582705
C -3.619933 -0.514000 -0.374644
C 2.548593 0.558872 -0.235508
C -4.785362 -0.971242 0.359325
C 4.305107 -1.100741 -0.045638
C 4.146153 -1.518858 1.400500
H -1.066146 -1.478123 -1.297530
H 0.040236 -1.314028 0.095107
H -0.071260 0.984586 1.425620
H -1.229457 2.199791 0.808166
H 1.317374 -0.970749 -2.025154
H 0.155507 0.286611 -2.570618
H 0.075842 2.506532 -1.284262
H 1.172085 2.707828 0.126616
H -2.181596 -1.066134 1.185622
H -2.795810 0.599278 1.307521
H -3.873591 0.386542 -0.987022
H -3.304930 -1.284718 -1.115840
H 4.553521 -1.939867 -0.721195
H 5.018183 -0.266406 -0.171463
H 5.071904 -1.952447 1.796749
H 3.891112 -0.653890 2.033805
H 3.347675 -2.260109 1.524569


%chk=000228931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228931

0 1
O 3.234772 -0.732629 -0.623008
O 3.319145 1.372533 0.432174
N -1.520595 0.372641 -0.167884
N 1.323109 0.543685 -0.482538
N -6.259548 -0.866090 0.389391
C -0.716076 -0.849385 -0.434408
C -0.730355 1.353698 0.625407
C 0.569113 -0.494561 -1.208628
C 0.548024 1.749797 -0.136305
C -2.839400 0.083214 0.435163
C -3.838972 -0.434797 -0.638912
C 2.666189 0.476985 -0.172342
C -5.178715 -0.678169 -0.080695
C 4.673292 -0.921631 -0.281137
C 4.832972 -1.509849 1.123761
H -1.308380 -1.556159 -1.043228
H -0.441007 -1.366567 0.519548
H -0.445660 0.942277 1.625934
H -1.347196 2.256281 0.788370
H 1.206637 -1.381412 -1.331849
H 0.289095 -0.111236 -2.211033
H 0.265937 2.285120 -1.065314
H 1.186733 2.407137 0.474956
H -2.778397 -0.656558 1.270194
H -3.240580 1.020705 0.860207
H -3.904310 0.312748 -1.450622
H -3.472072 -1.374966 -1.091174
H 5.034828 -1.610594 -1.061977
H 5.186007 0.052410 -0.365147
H 5.900583 -1.719957 1.322868
H 4.475019 -0.795835 1.884383
H 4.271005 -2.454936 1.222844


