%chk=000227912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227912

0 1
O -1.681086 -2.093421 -0.088753
N -2.223511 0.127880 -0.029428
C -3.698368 -0.158002 -0.108401
C -1.798813 1.560551 0.044545
C -1.308846 -0.930058 -0.027024
C -4.030200 -0.878423 -1.419915
C -4.146996 -0.974349 1.108766
C -2.238323 2.315202 -1.217399
C -2.353352 2.218489 1.315268
C 0.151544 -0.584227 0.054394
C 4.388954 0.220967 0.299059
C 2.900843 -0.060457 0.201441
C 0.779783 -0.503751 1.302209
C 0.893204 -0.414194 -1.121170
C 2.149531 -0.239491 1.373439
C 2.261791 -0.150584 -1.045482
C 4.719966 1.585846 -0.317363
C 5.190021 -0.904456 -0.366809
H -4.230204 0.831177 -0.095440
H -0.675379 1.595861 0.096853
H -3.696509 -0.309392 -2.292293
H -5.105513 -1.052893 -1.515179
H -3.533683 -1.862575 -1.462883
H -5.225906 -1.151721 1.091213
H -3.653168 -1.960688 1.122734
H -3.896981 -0.474089 2.048679
H -1.871529 1.819273 -2.124043
H -1.847477 3.338388 -1.216341
H -3.328458 2.382340 -1.306210
H -1.967742 3.237516 1.427392
H -3.447284 2.282206 1.310025
H -2.068212 1.653890 2.211050
H 4.681736 0.254627 1.381374
H 0.202991 -0.654522 2.214517
H 0.403246 -0.495720 -2.091204
H 2.633488 -0.180177 2.346851
H 2.837942 -0.020937 -1.960101
H 4.514339 1.610039 -1.393165
H 5.778710 1.832773 -0.182564
H 4.130034 2.384394 0.146564
H 4.928526 -1.881288 0.057552
H 6.266719 -0.759073 -0.228782
H 5.002673 -0.959230 -1.444880


%chk=000227912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227912

0 1
O -1.555517 -1.898089 -0.840817
N -2.275590 0.177817 -0.041723
C -3.712511 -0.266906 -0.064690
C -2.012173 1.634790 0.183764
C -1.280621 -0.734667 -0.387678
C -4.205058 -0.630154 -1.487363
C -3.963834 -1.409327 0.947095
C -2.660747 2.510103 -0.917910
C -2.444885 2.090336 1.597624
C 0.174632 -0.359410 -0.202716
C 4.496212 0.291170 0.295146
C 2.992663 0.066834 0.116593
C 0.697717 0.138656 1.016785
C 1.079296 -0.667553 -1.251285
C 2.087005 0.341080 1.171603
C 2.461222 -0.443339 -1.098783
C 5.054281 1.301862 -0.741885
C 5.278849 -1.048655 0.236248
H -4.290562 0.612198 0.277489
H -0.920689 1.765168 0.101549
H -4.040937 0.204998 -2.191229
H -5.288766 -0.850255 -1.459191
H -3.668769 -1.516480 -1.859705
H -5.042422 -1.651022 0.975271
H -3.407976 -2.313884 0.653584
H -3.648789 -1.111158 1.963557
H -2.318743 2.197035 -1.920041
H -2.373878 3.567144 -0.768352
H -3.764443 2.457025 -0.893914
H -2.158074 3.145586 1.758131
H -3.539407 2.017806 1.734186
H -1.962697 1.476978 2.379184
H 4.651257 0.725383 1.303742
H 0.024725 0.340031 1.858296
H 0.682461 -1.101486 -2.175161
H 2.474549 0.712671 2.128446
H 3.135332 -0.679043 -1.931070
H 4.942161 0.917220 -1.772616
H 6.130874 1.483114 -0.565751
H 4.524660 2.269793 -0.682866
H 4.909742 -1.760688 0.996018
H 6.356899 -0.877278 0.414146
H 5.171053 -1.527700 -0.754614


