%chk=000212809.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212809

0 1
O -0.365244 -1.732775 -0.492794
O 4.154743 -1.257317 0.326519
O -5.799631 -1.055520 -0.030166
N -0.515465 1.367148 -0.479077
N 2.943617 0.693025 0.158339
N 1.886664 -1.497708 -0.075625
N 1.359603 2.623339 -0.096866
N -3.231926 -1.745532 0.584777
N -4.899785 -0.006539 0.189509
C 0.548407 0.466931 -0.284897
C 1.698130 1.275984 -0.057266
C -1.911997 0.960621 -0.710982
C 0.573070 -0.975372 -0.306136
C 0.009577 2.645745 -0.345674
C -2.628110 0.664935 0.618106
C 3.074283 -0.729689 0.150691
C 4.136155 1.542759 0.395642
C 2.058290 -2.977380 -0.051048
C -3.668058 -0.416645 0.415316
H -2.447996 1.756704 -1.276761
H -1.906523 0.047798 -1.364449
H -0.570627 3.557007 -0.437856
H -3.103151 1.586518 1.021417
H -1.908529 0.343460 1.405658
H 5.037539 0.911359 0.515525
H 3.997963 2.147743 1.309832
H 4.290069 2.230296 -0.455716
H 1.237810 -3.461495 -0.612522
H 2.042536 -3.348088 0.988157
H 3.024061 -3.261763 -0.507611
H -3.867315 -2.466432 0.260636
H -2.257344 -1.944367 0.356594
H -6.674012 -0.558851 -0.146272


%chk=000212809-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212809

0 1
O -0.407961 -1.760808 -0.310863
O 4.213646 -1.269532 0.438545
O -5.881515 -1.122744 0.153884
N -0.477450 1.373445 -0.469377
N 2.964698 0.698304 0.161220
N 1.908992 -1.476203 0.058773
N 1.430144 2.609258 -0.180946
N -3.363810 -1.666057 -0.160029
N -4.961288 0.001462 0.528797
C 0.568561 0.461779 -0.237298
C 1.718683 1.256448 -0.072077
C -1.897018 1.022857 -0.686164
C 0.589487 -0.975500 -0.179745
C 0.090246 2.634049 -0.419320
C -2.601560 0.553519 0.621613
C 3.102605 -0.707070 0.232325
C 4.151739 1.560845 0.331588
C 2.094182 -2.944639 0.142385
C -3.717233 -0.425719 0.321305
H -2.404262 1.908095 -1.105178
H -1.934376 0.217687 -1.437791
H -0.490785 3.542092 -0.562575
H -3.018089 1.412880 1.171334
H -1.858647 0.055035 1.270870
H 5.019988 0.905155 0.489272
H 4.012575 2.226132 1.199795
H 4.297868 2.180982 -0.568175
H 1.109059 -3.410985 0.000475
H 2.513851 -3.214806 1.124809
H 2.797675 -3.279589 -0.636945
H -4.111916 -2.323203 -0.371724
H -2.375078 -1.919634 -0.253180
H -6.766207 -0.737637 0.369398


