%chk=000261082.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261082

0 1
O 2.091048 3.571057 -0.610353
N 2.893940 1.538346 -0.043552
N -1.547126 3.511228 0.000928
C -1.940440 -0.255598 0.270528
C 0.346397 0.650838 0.679530
C 2.730997 0.244564 0.426420
C -0.964804 0.134701 1.105270
C 1.480453 -0.204103 0.793844
C -3.246823 -0.734447 0.784239
C -1.798361 -0.241025 -1.206484
C 3.944544 -0.603798 0.511999
C 0.493341 1.947906 0.212446
C 1.790038 2.476400 -0.185100
C -3.716343 -2.009677 0.433527
C -2.479435 0.725076 -1.961493
C -4.017606 0.092728 1.615822
C -0.990759 -1.194305 -1.844176
C 4.671361 -0.913226 -0.647553
C 4.354647 -1.101529 1.757827
C -4.944904 -2.457589 0.925134
C -2.348244 0.735474 -3.352638
C -5.248512 -0.359871 2.098234
C -0.870407 -1.180980 -3.236372
C 5.809098 -1.718973 -0.556241
C 5.496107 -1.903161 1.840845
C -5.711551 -1.634773 1.757240
C -1.547335 -0.217274 -3.991062
C 6.222842 -2.211913 0.686071
C -0.623063 2.820208 0.091964
H -1.094305 0.094658 2.192517
H 1.344511 -1.221031 1.157402
H 3.826649 1.877574 -0.305867
H -3.124237 -2.645190 -0.223842
H -3.100524 1.471494 -1.462758
H -3.661622 1.090424 1.874262
H -0.458165 -1.938514 -1.255511
H 4.345008 -0.536879 -1.617487
H 3.785663 -0.860994 2.656630
H -5.307777 -3.448265 0.655851
H -2.870212 1.491180 -3.938902
H -5.848455 0.284427 2.739599
H -0.246747 -1.921482 -3.733659
H 6.374188 -1.963815 -1.455552
H 5.819283 -2.288573 2.807814
H -6.670053 -1.985280 2.136029
H -1.449377 -0.206697 -5.075093
H 7.112370 -2.838422 0.754026


%chk=000261082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261082

0 1
O 2.184324 3.148049 -1.413545
N 3.020565 1.261957 -0.334453
N -1.424296 3.167326 -0.888072
C -2.011731 -0.318533 0.041837
C 0.458686 0.371511 0.340642
C 2.910859 0.088315 0.393396
C -0.848196 -0.166731 0.770710
C 1.634648 -0.355672 0.736014
C -3.260959 -0.715692 0.759962
C -2.070096 -0.184482 -1.444710
C 4.161209 -0.630972 0.744204
C 0.610763 1.591281 -0.365208
C 1.936206 2.087542 -0.767513
C -4.198156 -1.606710 0.165568
C -3.152868 0.492478 -2.070635
C -3.536198 -0.216698 2.064905
C -1.059098 -0.754815 -2.265820
C 5.291610 -0.601794 -0.119406
C 4.250844 -1.358388 1.962537
C -5.358015 -2.004893 0.863219
C -3.209681 0.614866 -3.474325
C -4.697782 -0.611591 2.760317
C -1.120139 -0.639226 -3.670017
C 6.477758 -1.282085 0.227944
C 5.436538 -2.038605 2.306505
C -5.612273 -1.512003 2.164550
C -2.193920 0.050575 -4.280364
C 6.556137 -2.002102 1.442253
C -0.498828 2.441759 -0.665852
H -0.863211 -0.515057 1.813292
H 1.521542 -1.306666 1.260544
H 3.945890 1.643528 -0.556997
H -4.004887 -1.996133 -0.839664
H -3.932312 0.948839 -1.451774
H -2.853350 0.513136 2.514147
H -0.237130 -1.308099 -1.798112
H 5.235682 -0.088328 -1.087062
H 3.401043 -1.364331 2.653411
H -6.062607 -2.699896 0.393135
H -4.039146 1.159906 -3.937555
H -4.898997 -0.206400 3.758233
H -0.335610 -1.090074 -4.287949
H 7.335454 -1.258419 -0.452623
H 5.492250 -2.587143 3.252803
H -6.516755 -1.816404 2.702873
H -2.238459 0.146046 -5.370979
H 7.477991 -2.528273 1.711940


