%chk=000278079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278079

0 1
O -0.664294 -0.002062 -2.588204
N 1.774264 0.000334 0.262375
N -2.830801 -0.001489 -1.772940
N -1.621581 -3.442004 0.447805
N -1.621839 3.442690 0.442350
C -1.081765 -0.000076 -0.101695
C -2.463325 0.000373 0.527265
C -0.289152 -1.246823 0.197853
C -0.289254 1.247215 0.195846
C -1.417686 -0.001328 -1.648098
C -3.459739 -0.000490 -0.495590
C 1.074511 -1.234787 0.291067
C 1.074412 1.235442 0.289066
C -2.839112 0.001426 1.857214
C -4.816765 -0.000310 -0.198041
C 3.224288 0.000261 0.103722
C 1.906743 -2.460720 0.449520
C 1.906546 2.461697 0.445536
C -4.212530 0.001618 2.169680
C -1.024165 -2.456764 0.334505
C -1.024366 2.457309 0.330594
C -5.176464 0.000766 1.161443
C 4.043873 0.001234 1.242130
C 3.766907 -0.000784 -1.189967
C 5.430986 0.001149 1.072662
C 5.156129 -0.000850 -1.337891
C 5.986309 0.000112 -0.211534
H -3.333526 -0.002214 -2.648554
H -2.091663 0.002094 2.648866
H -5.574307 -0.000967 -0.974713
H 2.568990 -2.410024 1.328179
H 2.548039 -2.630124 -0.432796
H 1.300598 -3.374708 0.567995
H 2.568774 2.412488 1.324293
H 1.300329 3.375833 0.562499
H 2.547851 2.629708 -0.437041
H -4.520228 0.002442 3.213396
H -6.234760 0.000931 1.425655
H 3.607137 0.002041 2.240146
H 3.112800 -0.001532 -2.064821
H 6.082125 0.001896 1.947534
H 5.592623 -0.001657 -2.337778
H 7.069384 0.000055 -0.335135


%chk=000278079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278079

0 1
O -0.229147 -0.002299 -2.340425
N 1.806301 0.000390 0.461943
N -2.540233 -0.001198 -1.812471
N -1.600550 -3.477695 0.870520
N -1.602086 3.478371 0.865694
C -1.055020 0.000397 0.066915
C -2.517747 0.000735 0.503043
C -0.266172 -1.244653 0.503079
C -0.266019 1.245718 0.502093
C -1.179220 0.000038 -1.517004
C -3.350494 -0.000239 -0.644728
C 1.116315 -1.227278 0.565846
C 1.116464 1.228216 0.564851
C -3.086635 0.001583 1.783545
C -4.751691 -0.000472 -0.550130
C 3.212851 0.000156 0.073331
C 1.946564 -2.468508 0.789810
C 1.946839 2.469548 0.787791
C -4.499714 0.001539 1.904072
C -0.984155 -2.461841 0.707586
C -0.983932 2.463089 0.705834
C -5.317316 0.000523 0.749628
C 4.237932 0.000650 1.043844
C 3.518206 -0.000532 -1.308218
C 5.588454 0.000437 0.626976
C 4.870447 -0.000746 -1.717276
C 5.905216 -0.000260 -0.751797
H -2.895720 -0.002522 -2.769177
H -2.451232 0.002273 2.675798
H -5.390714 -0.001332 -1.439443
H 2.574325 -2.378786 1.694634
H 2.627955 -2.647012 -0.061699
H 1.294638 -3.347707 0.898974
H 2.574836 2.380388 1.692501
H 1.294989 3.348853 0.896535
H 2.628010 2.647454 -0.064022
H -4.961314 0.002228 2.896625
H -6.407461 0.000433 0.857915
H 3.979439 0.001200 2.108463
H 2.696917 -0.000861 -2.034713
H 6.388628 0.000814 1.374734
H 5.114801 -0.001272 -2.784901
H 6.952744 -0.000423 -1.072181


