%chk=000268128.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268128

0 1
O 0.383530 2.977220 0.552899
N -0.489117 0.889206 0.416814
N -3.702616 -1.202218 0.108031
C -1.389990 -0.112411 -0.194990
C -2.687376 -0.251350 0.636919
C 0.547316 0.375609 1.352850
C 1.722124 -0.207426 0.602076
C -0.465366 2.244847 0.062326
C -3.194538 -2.603790 0.060994
C -4.228133 -0.786265 -1.224535
C 1.929242 -1.592364 0.564368
C 2.613267 0.651907 -0.059018
C -1.511846 2.743297 -0.893376
C 3.025768 -2.114288 -0.129980
C 3.704670 0.125540 -0.752196
C 3.912911 -1.258246 -0.788665
H -1.626058 0.169090 -1.243730
H -0.863839 -1.092114 -0.258515
H -2.437845 -0.569327 1.674072
H -3.179241 0.741200 0.743693
H 0.084373 -0.368954 2.036083
H 0.895970 1.224994 1.997621
H -2.403180 -2.791365 -0.678494
H -4.040846 -3.274164 -0.165485
H -2.817312 -2.889199 1.055792
H -4.604910 0.246725 -1.162635
H -5.090632 -1.427338 -1.474324
H -3.507985 -0.846603 -2.052724
H 1.245902 -2.264822 1.077458
H 2.443158 1.732512 -0.025110
H -1.456696 3.843327 -0.956252
H -1.356460 2.356958 -1.909037
H -2.531606 2.486551 -0.580462
H 3.188356 -3.190112 -0.155303
H 4.396148 0.793707 -1.263180
H 4.765652 -1.666031 -1.327385


%chk=000268128-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268128

0 1
O 0.290371 3.186648 0.802545
N -0.482571 1.031556 0.375027
N -3.536149 -1.301829 0.009259
C -1.378242 0.074857 -0.305457
C -2.636619 -0.273970 0.559132
C 0.522131 0.464636 1.313726
C 1.681750 -0.219846 0.597624
C -0.521875 2.413547 0.197856
C -2.996155 -2.670471 -0.018803
C -4.264775 -0.921414 -1.211204
C 1.905358 -1.612280 0.729752
C 2.560364 0.543981 -0.215249
C -1.564287 2.970523 -0.772495
C 2.986263 -2.236496 0.062955
C 3.638429 -0.076380 -0.881910
C 3.854673 -1.469515 -0.745736
H -1.690796 0.482296 -1.281578
H -0.797111 -0.843466 -0.512447
H -2.295158 -0.612583 1.557098
H -3.221518 0.652799 0.721316
H 0.015219 -0.251090 1.988302
H 0.887950 1.315887 1.914747
H -2.223133 -2.850115 -0.807427
H -3.819854 -3.387005 -0.195394
H -2.544792 -2.910448 0.961206
H -4.704575 0.084398 -1.081668
H -5.094097 -1.632909 -1.381697
H -3.641016 -0.908469 -2.140065
H 1.237214 -2.210519 1.363183
H 2.395617 1.623874 -0.308911
H -1.568318 4.064578 -0.659954
H -1.299375 2.729642 -1.819242
H -2.580484 2.584364 -0.579423
H 3.150080 -3.314361 0.175172
H 4.314650 0.523553 -1.501578
H 4.693629 -1.949672 -1.262063


