%chk=000239645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239645

0 1
O 3.720329 1.157039 0.780119
O -5.575594 0.792580 -0.379634
O -5.437283 -1.084357 0.685681
N 0.690235 -0.078885 -0.534705
N -4.941227 -0.133857 0.100704
C 3.561907 -1.154946 -0.124946
C 3.049379 0.284953 -0.187736
C 5.085487 -1.177522 -0.312060
C 5.740301 -0.137478 0.542840
C 1.595136 0.410124 0.236765
C 5.056063 0.907401 1.023097
C -0.706591 -0.039357 -0.280819
C -1.480402 1.010420 -0.821137
C -1.324035 -1.118519 0.387575
C -3.475478 -0.101741 -0.032578
C -2.864448 0.975471 -0.699348
C -2.708522 -1.149736 0.507093
H 3.299606 -1.612943 0.849579
H 3.056336 -1.765428 -0.899209
H 3.231896 0.751967 -1.183379
H 5.477802 -2.184098 -0.061373
H 5.349782 -1.005694 -1.376863
H 6.795072 -0.277725 0.756451
H 1.454120 0.936193 1.198269
H 5.406662 1.707025 1.668811
H -0.993875 1.834251 -1.343736
H -0.718373 -1.928755 0.792801
H -3.486553 1.777734 -1.114188
H -3.210832 -1.979517 1.018728


%chk=000239645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239645

0 1
O 3.625995 1.317921 0.124999
O -5.460723 1.273631 0.298467
O -5.680767 -0.990516 0.106690
N 0.653857 -0.441801 -0.642995
N -4.969167 0.089655 0.124122
C 3.683835 -1.152897 0.546863
C 3.023132 0.008554 -0.240045
C 5.200478 -1.206152 0.235156
C 5.799595 0.187421 0.289650
C 1.555884 0.154483 0.078328
C 5.027521 1.304573 0.269064
C -0.733071 -0.282331 -0.410529
C -1.321886 1.002868 -0.216291
C -1.565338 -1.436600 -0.455304
C -3.509450 -0.037307 -0.063054
C -2.710298 1.128095 -0.043709
C -2.951485 -1.321441 -0.268814
H 3.527848 -0.987416 1.629655
H 3.182994 -2.097920 0.271427
H 3.163628 -0.152293 -1.326613
H 5.703948 -1.862022 0.970963
H 5.371989 -1.668330 -0.758486
H 6.883548 0.307133 0.382156
H 1.323994 0.760654 0.977990
H 5.405469 2.325630 0.366937
H -0.686703 1.895069 -0.230013
H -1.102028 -2.410549 -0.637500
H -3.186779 2.100565 0.105426
H -3.609122 -2.194076 -0.287739


