%chk=000298424.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298424

0 1
O -0.227117 0.927744 2.054422
N 1.628183 -1.728737 0.734402
N -1.481745 0.171805 0.294295
C -0.920123 -2.246448 0.871227
C -0.644614 -1.013304 -0.048369
C -0.168489 -3.440467 0.235693
C -0.346152 -2.014989 2.282526
C 1.338557 -3.089839 0.160921
C 1.158959 -1.674728 2.163312
C 0.862973 -0.735734 -0.027636
C 1.430700 0.269770 -0.707326
C -2.695390 0.293726 -0.493087
C -1.184428 1.095756 1.324916
C 2.870168 0.553942 -0.799513
C -2.131817 2.279315 1.430068
C -2.632337 0.858344 -1.777670
C -3.915013 -0.164191 0.032125
C 3.697591 0.540989 0.335442
C 3.421354 0.875565 -2.053566
C -1.617704 3.293593 2.443521
C -3.801834 0.964681 -2.533857
C -5.075043 -0.048311 -0.737398
C -5.021403 0.514468 -2.016951
C 5.056154 0.843306 0.215503
C 4.781319 1.171920 -2.166198
C 5.601298 1.158844 -1.033075
H -2.008942 -2.447129 0.922126
H -0.914265 -1.304251 -1.103899
H -0.568026 -3.671523 -0.765332
H -0.325668 -4.349533 0.841032
H -0.499335 -2.907848 2.910129
H -0.876561 -1.184447 2.784439
H 1.947006 -3.828217 0.720349
H 1.701985 -3.106156 -0.886480
H 1.346272 -0.643176 2.543552
H 1.781595 -2.369320 2.757247
H 0.798607 0.972225 -1.258841
H -3.142824 1.925246 1.721490
H -2.256605 2.763281 0.438315
H -1.681340 1.208336 -2.176824
H -3.952606 -0.607874 1.025693
H 3.273272 0.284701 1.306760
H 2.789922 0.885650 -2.938233
H -2.312992 4.131211 2.558976
H -0.641468 3.699459 2.143993
H -1.468370 2.832890 3.430303
H -3.762075 1.401727 -3.531645
H -6.025804 -0.401076 -0.337976
H -5.929310 0.601124 -2.611659
H 5.692022 0.830286 1.098566
H 5.203798 1.414300 -3.138930
H 6.659067 1.392293 -1.122979


%chk=000298424-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298424

0 1
O -0.277886 0.937760 2.121022
N 1.581133 -1.793263 0.918603
N -1.520839 0.162962 0.304803
C -0.966377 -2.291164 0.900563
C -0.642683 -1.031500 0.037903
C -0.195715 -3.482665 0.260520
C -0.478728 -2.122297 2.363397
C 1.342012 -3.144593 0.303908
C 1.055508 -1.797838 2.330530
C 0.881365 -0.786565 0.121191
C 1.496674 0.198843 -0.593218
C -2.728013 0.242100 -0.494035
C -1.235655 1.102915 1.307042
C 2.919293 0.562505 -0.708326
C -2.110151 2.368426 1.348791
C -2.642644 0.487470 -1.887954
C -3.995899 0.035665 0.103235
C 3.977011 -0.125162 -0.040937
C 3.260717 1.670647 -1.539387
C -1.368643 3.545113 2.013490
C -3.815375 0.535045 -2.672552
C -5.168534 0.094688 -0.682863
C -5.082479 0.343248 -2.072329
C 5.315024 0.286604 -0.205200
C 4.600410 2.079415 -1.703357
C 5.637827 1.387424 -1.035829
H -2.055179 -2.482552 0.870770
H -0.888925 -1.302723 -1.009249
H -0.536125 -3.650196 -0.779588
H -0.415320 -4.405288 0.829768
H -0.679950 -3.060723 2.915656
H -1.025220 -1.308422 2.867398
H 1.896372 -3.884583 0.909289
H 1.780870 -3.141977 -0.708773
H 1.243270 -0.803307 2.758890
H 1.642619 -2.550100 2.889109
H 0.816652 0.852220 -1.164015
H -3.030943 2.140712 1.922643
H -2.446651 2.636416 0.330656
H -1.660508 0.651074 -2.346774
H -4.054542 -0.177465 1.176413
H 3.709478 -0.971910 0.598243
H 2.460887 2.216093 -2.057516
H -2.044516 4.412282 2.122988
H -0.496059 3.855780 1.412358
H -0.993567 3.253307 3.008115
H -3.741777 0.730417 -3.748072
H -6.145456 -0.063599 -0.212788
H -5.991769 0.384117 -2.681718
H 6.113914 -0.252535 0.317680
H 4.835904 2.934817 -2.347073
H 6.680590 1.701562 -1.159525


