%chk=000223218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223218

0 1
O -3.357609 -0.971486 0.306167
O 2.722927 0.340628 0.917340
O 2.104821 2.407261 0.243708
N -0.270809 -3.545732 0.276675
N -4.166648 1.310727 -0.927836
C -1.054493 -1.234798 0.671747
C -1.946248 1.009278 0.132434
C -2.140186 -0.375874 0.361225
C -1.306726 -2.693625 0.954355
C -3.096611 1.957617 -0.091472
C 0.438393 0.669958 0.474119
C 0.229238 -0.698101 0.726208
C -0.645704 1.512364 0.181212
C 1.785126 1.266881 0.509425
C 4.725489 0.690269 -0.416465
C 4.117811 0.768518 0.980743
C -0.453155 -3.527660 -1.205390
C -0.348153 -4.946854 0.789998
C -3.735797 1.187517 -2.352298
C -5.448284 2.070057 -0.827084
C 6.245330 0.885072 -0.370903
C 6.860106 0.817087 -1.766775
H -1.228473 -2.858232 2.054429
H -2.350474 -2.964430 0.668296
H -2.734265 2.914523 -0.529127
H -3.534978 2.215892 0.902584
H 1.084064 -1.349104 0.953637
H -0.453623 2.574221 -0.003602
H 4.257281 1.458808 -1.066420
H 4.472020 -0.284032 -0.879454
H 4.164401 1.784713 1.409780
H 4.535529 0.025006 1.682580
H -0.370166 -2.487562 -1.562094
H -1.411232 -3.934849 -1.558943
H 0.364201 -4.098688 -1.672436
H 0.439500 -5.546988 0.306565
H -1.312347 -5.449617 0.627200
H -0.132534 -4.945674 1.870425
H -2.779746 0.636888 -2.396858
H -3.597447 2.146824 -2.872358
H -4.482638 0.596920 -2.906196
H -5.392465 3.111310 -1.178561
H -5.788989 2.076517 0.221118
H -6.222823 1.552929 -1.417290
H 6.485656 1.861974 0.094436
H 6.707004 0.114549 0.277691
H -4.081281 -0.332536 -0.080142
H 6.450540 1.592172 -2.425450
H 7.945935 0.959063 -1.728817
H 6.671131 -0.150903 -2.245027


%chk=000223218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223218

0 1
O -3.532114 -0.822990 0.120419
O 2.752134 0.137300 0.818938
O 2.110879 2.349958 0.427397
N -0.356535 -3.651259 0.440593
N -4.214546 1.416267 -0.907537
C -1.179950 -1.282466 0.520521
C -1.960412 1.043730 0.117898
C -2.232233 -0.359045 0.253438
C -1.509987 -2.758722 0.703330
C -3.128346 2.006667 -0.041706
C 0.423192 0.589472 0.474835
C 0.134276 -0.792276 0.634090
C -0.636580 1.498053 0.216177
C 1.798446 1.135158 0.561340
C 4.804390 0.624744 -0.512051
C 4.170437 0.587326 0.885651
C -0.028426 -3.744335 -0.996511
C -0.519434 -4.980998 1.057967
C -3.812653 1.357041 -2.341376
C -5.516787 2.107370 -0.723345
C 6.305587 0.994350 -0.453370
C 6.955038 1.034883 -1.853574
H -1.830602 -2.922674 1.751947
H -2.397758 -3.007241 0.072510
H -2.784947 2.984988 -0.441462
H -3.592010 2.195243 0.947518
H 0.938140 -1.505601 0.836436
H -0.396372 2.562270 0.106077
H 4.263161 1.363573 -1.132470
H 4.682346 -0.365418 -0.993107
H 4.207262 1.584612 1.361010
H 4.656058 -0.162851 1.532675
H 0.156713 -2.735866 -1.404132
H -0.844463 -4.217618 -1.600799
H 0.890850 -4.342488 -1.129838
H 0.398850 -5.575577 0.901080
H -1.379954 -5.565929 0.642268
H -0.674370 -4.872103 2.146407
H -2.842942 0.839892 -2.427400
H -3.714871 2.372043 -2.783423
H -4.567212 0.789078 -2.911685
H -5.463978 3.181228 -1.007457
H -5.828552 2.035926 0.332712
H -6.284174 1.618735 -1.347489
H 6.422846 1.982105 0.036689
H 6.843197 0.261556 0.182776
H -4.079301 -0.003623 -0.313110
H 6.459072 1.785524 -2.496847
H 8.027661 1.295355 -1.793628
H 6.871574 0.053428 -2.357285


