%chk=000250199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250199

0 1
O -3.995030 -1.234236 -0.883956
N 1.909564 0.314186 1.299262
N 4.288932 -0.073436 -0.363204
N 4.958225 -0.290423 -1.612515
N -4.391902 0.868411 -0.118123
N -5.794198 0.750901 -0.332913
C 2.735472 1.460270 0.814098
C 2.764563 -0.903987 1.406119
C 3.424544 1.151459 -0.528213
C 3.448162 -1.250228 0.067523
C 0.593499 0.168290 0.791416
C -0.084438 -1.072725 0.892761
C -0.114774 1.289707 0.290248
C -1.417999 -1.176219 0.520761
C -1.450656 1.174186 -0.072856
C -2.119832 -0.053601 0.046874
C -3.535339 -0.234435 -0.351651
H 3.499483 1.669376 1.599833
H 2.112629 2.377353 0.726598
H 2.166167 -1.768406 1.769170
H 3.535078 -0.697449 2.186443
H 2.675640 1.049094 -1.341821
H 4.094329 1.992982 -0.817453
H 4.121975 -2.121130 0.212386
H 2.684564 -1.544187 -0.684550
H 0.435713 -1.951331 1.271767
H 0.385914 2.252317 0.193536
H 5.924922 -0.550677 -1.390547
H 4.561360 -1.048474 -2.172634
H -1.934015 -2.138848 0.587662
H -1.975328 2.046268 -0.469382
H -4.182992 1.567977 0.598817
H -5.976590 0.905880 -1.335352
H -6.105743 -0.216265 -0.148703


%chk=000250199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250199

0 1
O -4.401781 -1.360508 -0.019507
N 1.886034 0.112501 0.966535
N 4.495282 0.036260 -0.276894
N 5.443648 -0.039365 -1.357548
N -4.518358 0.945676 -0.238429
N -5.925923 0.944587 -0.445629
C 2.693305 1.335489 0.787110
C 2.753944 -1.070154 1.126364
C 3.614453 1.220749 -0.447771
C 3.704977 -1.212610 -0.089591
C 0.513445 0.038376 0.690416
C -0.254148 -1.127024 1.022968
C -0.193288 1.127591 0.082912
C -1.631834 -1.185634 0.773899
C -1.577486 1.059665 -0.148604
C -2.331404 -0.092996 0.197263
C -3.800414 -0.236903 -0.028830
H 3.336087 1.457331 1.682026
H 2.051724 2.225791 0.718370
H 2.158810 -1.988351 1.229915
H 3.368121 -0.951125 2.041266
H 2.992536 1.143773 -1.374091
H 4.263388 2.107115 -0.540215
H 4.409609 -2.045562 0.089904
H 3.101607 -1.454890 -1.002073
H 0.222496 -1.984616 1.506664
H 0.342314 2.022308 -0.245852
H 6.335922 -0.430937 -1.039937
H 5.081157 -0.498538 -2.212318
H -2.205251 -2.082888 1.030382
H -2.054259 1.906850 -0.657314
H -4.110780 1.862205 -0.056443
H -6.141811 0.573357 -1.382720
H -6.380222 0.355077 0.269173


