%chk=000269976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269976

0 1
O 1.404713 1.254353 -1.680971
N 2.184256 0.496805 0.330919
N 2.877497 -0.414484 1.092940
C -1.025290 1.056323 0.437221
C -2.346590 0.384464 0.831168
C 0.022096 0.933764 1.550016
C -3.395231 0.522370 -0.280985
C 1.391453 1.485239 1.126522
C -4.716677 -0.154889 0.105365
C -5.765144 -0.016992 -1.007616
C 2.967401 -0.579498 -1.769696
C 3.217288 -1.830355 -0.926489
C 2.094548 0.450724 -1.080932
C 3.383124 -1.481039 0.532829
C -7.083331 -0.689246 -0.629647
C 4.153614 -2.431761 1.389113
H -1.197763 2.123777 0.197532
H -0.633535 0.612985 -0.501655
H -2.732144 0.829106 1.768584
H -2.173554 -0.686030 1.053441
H 0.123272 -0.123326 1.867897
H -0.321260 1.479619 2.450788
H -3.006091 0.083723 -1.220337
H -3.570248 1.593114 -0.501832
H 1.985910 1.767069 2.025291
H 1.275433 2.398450 0.495972
H -5.106248 0.284648 1.043500
H -4.542415 -1.225468 0.325359
H 2.502465 -0.848406 -2.742124
H 3.929028 -0.086205 -2.034273
H -5.941409 1.054241 -1.227290
H -5.376641 -0.457296 -1.946753
H 4.102898 -2.373771 -1.311493
H 2.366260 -2.539833 -1.025373
H -7.824392 -0.585091 -1.429862
H -6.950495 -1.760713 -0.442336
H -7.514810 -0.249501 0.276648
H 5.211589 -2.462839 1.091871
H 3.749467 -3.450848 1.318049
H 4.128057 -2.145283 2.454039


%chk=000269976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269976

0 1
O 2.140138 1.874304 -1.670753
N 2.191953 0.605721 0.292554
N 2.626964 -0.511050 1.060803
C -0.912169 0.979275 0.396633
C -2.300110 0.497402 0.874743
C 0.088897 1.169820 1.556619
C -3.312110 0.311193 -0.278436
C 1.491522 1.628304 1.103568
C -4.698631 -0.179901 0.195573
C -5.712289 -0.358420 -0.957909
C 3.365886 -0.261245 -1.697287
C 3.071143 -1.654588 -1.103571
C 2.502190 0.825940 -1.056938
C 3.049434 -1.578620 0.414785
C -7.094857 -0.850140 -0.477152
C 3.492593 -2.762461 1.237084
H -1.020630 1.933581 -0.157979
H -0.500572 0.248442 -0.329147
H -2.710229 1.224980 1.606639
H -2.186520 -0.461757 1.422775
H 0.192409 0.226708 2.129250
H -0.302758 1.929664 2.263621
H -2.899803 -0.410427 -1.014763
H -3.429636 1.272357 -0.821210
H 2.122960 1.841302 1.985370
H 1.425171 2.533177 0.476423
H -5.110268 0.539184 0.934764
H -4.582746 -1.144399 0.733509
H 3.196527 -0.228461 -2.785326
H 4.426239 0.010960 -1.522196
H -5.827134 0.606385 -1.493125
H -5.299643 -1.075173 -1.697327
H 3.810677 -2.399449 -1.446246
H 2.077623 -2.010715 -1.451386
H -7.799635 -0.969247 -1.320784
H -7.011689 -1.827551 0.034875
H -7.542337 -0.134874 0.238781
H 4.564980 -2.983123 1.070302
H 2.929865 -3.671959 0.948907
H 3.333696 -2.567244 2.309357


