%chk=000213502.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213502

0 1
O -0.207584 3.035872 -0.512845
O 1.469342 -0.906313 -2.573136
N -0.752209 0.766753 -0.453171
N -0.309160 -0.411653 -1.139110
C 1.086902 1.417873 -1.848100
C 2.499759 1.769193 -1.367735
C 0.001230 1.915276 -0.896296
C 0.869963 -0.091378 -1.925480
C 2.814496 1.190418 -0.012677
C -2.156746 0.852947 -0.103340
C -0.360863 -1.662527 -0.396723
C 2.543815 1.930317 1.147580
C 3.379357 -0.089141 0.091882
C -2.529735 1.881624 0.782325
C -0.217706 -2.841207 -1.152066
C -3.108571 -0.058264 -0.589286
C -0.576068 -1.715079 0.989019
C 2.844706 1.394871 2.402767
C 3.676851 -0.619903 1.349717
C -3.863211 1.983306 1.180523
C -0.304244 -4.074744 -0.505233
C -4.436044 0.058489 -0.170730
C -0.666500 -2.961052 1.614332
C 3.412558 0.120968 2.506276
C -4.817340 1.073926 0.711479
C -0.533181 -4.139420 0.873568
H 0.917814 1.873507 -2.859004
H 2.606453 2.876847 -1.348782
H 3.236481 1.411705 -2.121126
H 2.091407 2.919607 1.072214
H 3.581122 -0.674126 -0.806098
H -1.788936 2.599601 1.141815
H -0.025257 -2.789774 -2.225608
H -2.824507 -0.849843 -1.282913
H -0.669628 -0.801041 1.576463
H 2.634417 1.972093 3.301904
H 4.113529 -1.614618 1.427798
H -4.159429 2.779546 1.863503
H -0.192118 -4.992447 -1.082373
H -5.178520 -0.648624 -0.540395
H -0.838495 -3.010076 2.689351
H 3.646658 -0.293881 3.484597
H -5.853930 1.158413 1.030865
H -0.604275 -5.105643 1.368851


%chk=000213502-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213502

0 1
O -0.232930 3.080055 -0.612668
O 1.610317 -0.989790 -2.504259
N -0.760718 0.768185 -0.521978
N -0.219262 -0.445687 -1.098563
C 1.107714 1.371849 -1.851521
C 2.555755 1.752403 -1.403622
C 0.007540 1.885913 -0.923212
C 0.896498 -0.140978 -1.913537
C 2.911007 1.267563 -0.003889
C -2.128035 0.819721 -0.079968
C -0.430607 -1.717477 -0.456766
C 2.659951 2.088073 1.127264
C 3.484473 -0.015591 0.195892
C -2.495854 1.793111 0.882565
C -0.390063 -2.889792 -1.250234
C -3.098511 -0.062398 -0.618341
C -0.637765 -1.797732 0.942330
C 2.974999 1.636629 2.428848
C 3.798645 -0.468367 1.497239
C -3.842889 1.883084 1.293464
C -0.552749 -4.147812 -0.631225
C -4.437257 0.031359 -0.184568
C -0.816417 -3.061402 1.542483
C 3.545553 0.356183 2.618015
C -4.817892 1.003428 0.769262
C -0.773624 -4.240458 0.762282
H 0.936675 1.815825 -2.851845
H 2.630236 2.853233 -1.460890
H 3.245928 1.322039 -2.151641
H 2.216830 3.081040 0.983967
H 3.679602 -0.659346 -0.669917
H -1.742028 2.475387 1.280594
H -0.214555 -2.813122 -2.325817
H -2.812762 -0.807768 -1.365686
H -0.649115 -0.888313 1.549790
H 2.781501 2.284207 3.291652
H 4.241911 -1.460991 1.635117
H -4.126779 2.641558 2.030967
H -0.513142 -5.055358 -1.243213
H -5.184137 -0.654438 -0.599028
H -0.980437 -3.123385 2.623717
H 3.794723 0.007209 3.626581
H -5.859644 1.073441 1.099766
H -0.910081 -5.218893 1.235198


