%chk=000299268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299268

0 1
O 1.530674 -1.392462 0.565251
N -1.491272 1.166440 -0.332943
C 1.889668 -0.079050 0.251782
C 3.247682 0.284641 0.227718
C 0.861278 0.869704 0.066524
C 2.564350 2.588582 -0.194477
C 3.568729 1.631651 0.002300
C 1.213182 2.204447 -0.157181
C 4.318934 -0.728885 0.446805
C 2.914553 4.020841 -0.435953
C 1.453840 -2.263656 -0.610183
C -0.546413 0.422519 0.147474
C 1.204623 -3.651399 -0.070140
C -2.866658 0.784898 -0.252719
C 0.355279 -3.729370 1.154310
C -3.481490 0.457790 0.970365
C -3.626436 0.843634 -1.437630
C 1.700836 -4.721147 -0.695589
C -4.852555 0.192761 1.000058
C -4.992464 0.566840 -1.389399
C -5.608408 0.240997 -0.174935
H 4.615211 1.932366 -0.017227
H 0.424463 2.946273 -0.306660
H 5.061882 -0.382057 1.178295
H 3.907759 -1.676422 0.833934
H 4.854879 -0.954861 -0.484907
H 3.994025 4.183696 -0.546914
H 2.435183 4.402839 -1.349184
H 2.575383 4.655609 0.396298
H 2.399895 -2.182112 -1.173252
H 0.613473 -1.915485 -1.238932
H -0.673990 -0.566502 0.629624
H -0.693163 -3.494468 0.924910
H 0.689647 -2.995650 1.909111
H 0.379296 -4.719712 1.624646
H -2.897933 0.429830 1.887474
H -3.143815 1.110818 -2.376678
H 2.317570 -4.675349 -1.578609
H 1.523968 -5.733613 -0.365576
H -5.333335 -0.053811 1.945933
H -5.584254 0.608416 -2.303128
H -6.674878 0.029718 -0.146098


%chk=000299268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299268

0 1
O 1.592517 -1.384781 0.633118
N -1.499799 1.237050 -0.326582
C 1.934224 -0.052798 0.266914
C 3.294778 0.349385 0.267935
C 0.889233 0.872581 -0.031265
C 2.574301 2.642680 -0.369309
C 3.586268 1.699090 -0.050967
C 1.230318 2.213261 -0.350461
C 4.400457 -0.631124 0.612979
C 2.926461 4.083322 -0.700361
C 1.666148 -2.367783 -0.491114
C -0.515750 0.435659 0.010765
C 1.190579 -3.711317 0.019202
C -2.855111 0.830274 -0.194040
C -0.174642 -3.733251 0.675875
C -3.329328 -0.004155 0.861430
C -3.787284 1.343250 -1.138174
C 1.958086 -4.820072 -0.147283
C -4.698560 -0.333791 0.944840
C -5.150781 0.995093 -1.058483
C -5.614377 0.154152 -0.017520
H 4.635007 2.023567 -0.043915
H 0.408985 2.902773 -0.575692
H 5.241848 -0.117362 1.109461
H 4.025251 -1.424587 1.280973
H 4.806943 -1.121123 -0.293735
H 4.017754 4.227067 -0.780803
H 2.471146 4.397845 -1.657359
H 2.553241 4.775307 0.078164
H 2.705079 -2.425050 -0.869442
H 1.009411 -1.998433 -1.308760
H -0.682001 -0.609237 0.336328
H -0.952358 -3.338379 -0.007764
H -0.174580 -3.084968 1.571395
H -0.463442 -4.753756 0.978458
H -2.632614 -0.356862 1.631213
H -3.413769 2.005821 -1.925592
H 2.952551 -4.771516 -0.607095
H 1.610549 -5.809807 0.170002
H -5.055020 -0.963280 1.768390
H -5.855598 1.387673 -1.800095
H -6.676926 -0.103120 0.052868


