%chk=000294108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294108

0 1
O -0.658919 0.970396 1.980174
O 2.846344 1.318655 0.302610
O 2.999805 -0.825177 -0.391464
N -1.489990 0.119666 -0.003235
N 0.604221 -0.645370 0.882368
C -2.844956 0.696438 0.245351
C -3.739859 -0.265503 1.055809
C -3.483924 1.061553 -1.109782
C -4.191067 -1.484435 0.244558
C -3.953831 -0.163175 -1.904298
C -4.870711 -1.062904 -1.065110
C -0.523854 0.222804 1.021052
C 1.799037 -0.274877 1.681151
C 3.028843 0.004939 0.794020
C 3.868449 1.783964 -0.632602
C 3.629396 -2.125371 -0.251643
C 3.444772 3.208192 -0.934515
C 3.584062 -2.712304 -1.650501
H -2.694398 1.636609 0.848288
H -3.203618 -0.590183 1.969279
H -4.625544 0.294179 1.413965
H -4.343549 1.733138 -0.918019
H -2.765981 1.650659 -1.713844
H -3.324586 -2.137474 0.028357
H -4.886165 -2.097579 0.849198
H -4.485330 0.168667 -2.816577
H -3.080485 -0.741969 -2.259755
H -5.157922 -1.957807 -1.647430
H -5.813952 -0.528510 -0.840307
H -1.474301 -0.683355 -0.627960
H 0.865048 -0.933238 -0.074105
H 1.586135 0.623460 2.320359
H 2.013742 -1.119247 2.373490
H 3.997486 -0.107481 1.317625
H 3.840796 1.126827 -1.519792
H 4.852219 1.722625 -0.139451
H 4.661776 -1.989010 0.114931
H 3.043782 -2.716914 0.474504
H 2.411121 3.235812 -1.310497
H 3.458706 3.830399 -0.029551
H 4.094335 3.671613 -1.683504
H 2.550156 -2.793832 -2.012547
H 4.114223 -2.070127 -2.367031
H 4.036587 -3.709154 -1.683170


%chk=000294108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294108

0 1
O -0.847615 0.729545 2.231212
O 2.848127 1.386456 0.093946
O 3.027048 -0.891646 -0.503229
N -1.693500 0.164472 0.122744
N 0.536780 -0.334531 0.671391
C -3.054066 0.658909 0.420283
C -3.924665 -0.424590 1.117952
C -3.736019 1.149177 -0.882038
C -4.270643 -1.592129 0.165279
C -4.100802 -0.014137 -1.839562
C -4.963815 -1.081403 -1.122394
C -0.677274 0.220156 1.075775
C 1.731368 -0.224241 1.501668
C 2.965129 0.068717 0.634515
C 4.034656 1.827055 -0.675394
C 3.799518 -2.114153 -0.210353
C 3.782123 3.271808 -1.100356
C 3.845076 -2.946839 -1.491393
H -2.925852 1.505528 1.119065
H -3.388636 -0.786293 2.014249
H -4.861680 0.055434 1.469260
H -4.668124 1.677106 -0.598635
H -3.085093 1.887309 -1.388858
H -3.338457 -2.129159 -0.106668
H -4.918653 -2.325375 0.682937
H -4.636393 0.384773 -2.722593
H -3.179507 -0.495601 -2.233823
H -5.177521 -1.924892 -1.807525
H -5.941737 -0.630398 -0.852854
H -1.512383 -0.236394 -0.797723
H 0.685766 -0.687065 -0.276644
H 1.571600 0.582320 2.237890
H 1.922196 -1.160817 2.068359
H 3.904401 -0.045543 1.231395
H 4.167295 1.158543 -1.547063
H 4.936388 1.748166 -0.027480
H 4.824109 -1.834632 0.119982
H 3.317449 -2.685513 0.611709
H 2.875711 3.334613 -1.726548
H 3.636783 3.918686 -0.218334
H 4.639122 3.656095 -1.683347
H 2.826154 -3.228840 -1.808442
H 4.315145 -2.373778 -2.309168
H 4.428588 -3.871300 -1.328787


