%chk=000271960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271960

0 1
O -4.126487 -1.362581 1.321292
O -6.068335 -0.588657 -0.093085
N 4.832558 -0.302671 0.860631
N 1.388003 1.113707 -1.226583
N 0.129602 0.695582 -0.873646
C 2.498093 0.601187 -0.491557
C 3.603300 1.480478 -0.295264
C 2.578943 -0.741567 -0.040032
C 4.760403 0.968777 0.384480
C 3.776133 -1.138524 0.658586
C 3.632440 2.855576 -0.723278
C 1.570395 -1.748874 -0.249862
C 5.906420 1.831389 0.594867
C 3.893751 -2.485444 1.174582
C 4.723334 3.644634 -0.506659
C 1.718954 -3.015432 0.236927
C 5.883155 3.120874 0.161504
C 2.893773 -3.387005 0.972274
C -2.261508 0.813519 -1.055849
C -3.758343 -0.511617 0.312085
C -4.865417 -0.070844 -0.493673
C -2.475010 -0.071607 0.028738
C -0.908962 1.306874 -1.380946
C -3.337597 1.240466 -1.832941
C -4.644180 0.797612 -1.554849
C -3.065187 -1.860546 2.203683
C -7.258845 -0.201875 -0.856560
C -3.824021 -2.748653 3.169628
C -8.368810 -0.950120 -0.145110
H 2.756524 3.263658 -1.230286
H 0.676020 -1.489262 -0.822567
H 6.768374 1.399994 1.107863
H 4.806847 -2.735233 1.717352
H 1.513785 2.061819 -1.621551
H 4.742154 4.683393 -0.831113
H 0.954618 -3.771770 0.070285
H 6.735780 3.783281 0.310663
H 2.965887 -4.405345 1.353934
H -1.619604 -0.393832 0.621708
H -0.878031 2.177302 -2.053199
H -3.185117 1.918704 -2.670088
H -5.461586 1.144923 -2.179490
H -2.333346 -2.415946 1.592818
H -2.587311 -0.997486 2.697774
H -7.372866 0.893656 -0.796308
H -7.124982 -0.525894 -1.902494
H -3.153637 -3.199973 3.909052
H -4.597031 -2.180815 3.706987
H -4.346614 -3.557233 2.639007
H -9.342974 -0.758979 -0.607306
H -8.187641 -2.034669 -0.158167
H -8.426703 -0.660551 0.914139


%chk=000271960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271960

0 1
O -4.342712 -1.829896 0.991930
O -6.302646 -0.524745 -0.213191
N 5.188117 -0.187000 0.641315
N 1.329020 1.217878 -0.618479
N 0.080265 0.679422 -0.378371
C 2.545273 0.713043 -0.153843
C 3.715663 1.523044 -0.417472
C 2.706698 -0.541603 0.534710
C 5.013776 1.007559 -0.005603
C 4.067597 -0.929806 0.909638
C 3.678875 2.812324 -1.057254
C 1.634196 -1.444950 0.868254
C 6.196028 1.782639 -0.278313
C 4.276100 -2.177262 1.597573
C 4.842863 3.540026 -1.302451
C 1.880088 -2.646130 1.530890
C 6.120072 3.016926 -0.914401
C 3.213042 -3.018794 1.904854
C -2.322176 0.844398 -0.740328
C -3.952818 -0.729073 0.226706
C -5.021631 -0.019708 -0.426719
C -2.627607 -0.293731 0.065541
C -0.949444 1.305214 -0.924672
C -3.381726 1.537951 -1.375241
C -4.717565 1.109800 -1.219664
C -3.278349 -2.588964 1.682360
C -7.432534 0.165168 -0.871875
C -3.966680 -3.730166 2.424975
C -8.694902 -0.599358 -0.484684
H 2.730214 3.277794 -1.354863
H 0.619545 -1.161682 0.589561
H 7.148198 1.350611 0.044353
H 5.309810 -2.422413 1.859573
H 1.378156 2.073974 -1.187205
H 4.780910 4.520704 -1.786561
H 1.044573 -3.314566 1.768781
H 7.028304 3.595896 -1.113852
H 3.390072 -3.965107 2.428277
H -1.800566 -0.812434 0.555733
H -0.810258 2.211038 -1.550984
H -3.164654 2.414753 -1.996714
H -5.517492 1.661522 -1.720963
H -2.554701 -2.970845 0.932628
H -2.741392 -1.915066 2.381261
H -7.473487 1.217812 -0.523664
H -7.275309 0.159338 -1.970164
H -3.217332 -4.336167 2.966115
H -4.693580 -3.336367 3.155368
H -4.505062 -4.384776 1.718893
H -9.580735 -0.128679 -0.948739
H -8.634096 -1.646856 -0.824807
H -8.828906 -0.598289 0.610182


