%chk=000229768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229768

0 1
O 2.382428 2.575649 -0.256379
O 3.925362 -1.737853 0.350808
N -0.475821 1.376300 -0.254585
N -2.790538 0.559799 -0.146792
N 1.643458 -1.482961 0.202323
N -0.781795 -0.900228 -0.001472
N 3.156187 0.425518 0.045297
C -3.690454 -0.642675 -0.179721
C 0.803628 0.786563 -0.118457
C -1.406696 0.332859 -0.172378
C 0.574155 -0.605876 0.042126
C -5.101991 -0.186822 0.247302
C 2.103956 1.397433 -0.126749
C -3.716951 -1.284889 -1.570495
C 2.983929 -0.979412 0.210235
C -0.719400 2.810313 -0.413574
C -5.166331 0.183220 1.725180
C 1.401505 -2.935557 0.375350
C 4.566012 0.904460 0.063098
H -3.287903 -1.383429 0.565392
H -3.108541 1.328257 -0.742782
H -5.443225 0.664709 -0.372214
H -5.817476 -1.008170 0.037954
H -2.709578 -1.609908 -1.871125
H -4.095945 -0.611670 -2.344322
H -4.346469 -2.182468 -1.579891
H -1.370335 3.193283 0.393085
H 0.246584 3.367605 -0.362643
H -1.177660 3.032598 -1.392521
H -4.931742 -0.673477 2.368464
H -4.446305 0.974376 1.973231
H -6.163345 0.541721 2.003419
H 2.362974 -3.468720 0.504947
H 0.881161 -3.343332 -0.509203
H 0.769452 -3.113629 1.263638
H 4.591612 2.001167 -0.082217
H 5.146040 0.422384 -0.742528
H 5.043359 0.660062 1.027594


%chk=000229768-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229768

0 1
O 2.380555 2.643620 -0.216514
O 3.960333 -1.768727 0.372719
N -0.479235 1.367845 -0.249863
N -2.736966 0.474413 -0.265817
N 1.637482 -1.469200 0.200339
N -0.756969 -0.905756 -0.017750
N 3.146447 0.410804 0.080188
C -3.674200 -0.676271 -0.247190
C 0.811116 0.799512 -0.105270
C -1.378041 0.305672 -0.189283
C 0.588171 -0.578356 0.036590
C -5.056000 -0.199272 0.259810
C 2.106797 1.402292 -0.094742
C -3.761497 -1.350908 -1.636701
C 2.972158 -0.990557 0.226609
C -0.792040 2.793583 -0.400819
C -5.054046 0.283878 1.725340
C 1.378625 -2.913379 0.346228
C 4.548136 0.884539 0.113064
H -3.251581 -1.404898 0.469372
H -3.105650 1.386210 -0.538825
H -5.428729 0.606262 -0.409446
H -5.765440 -1.040862 0.145605
H -2.757486 -1.659724 -1.974091
H -4.193930 -0.661724 -2.386672
H -4.400849 -2.251562 -1.588881
H -1.426768 3.148628 0.432873
H 0.159646 3.348505 -0.388956
H -1.303550 2.990132 -1.362467
H -4.757829 -0.533241 2.408584
H -4.341225 1.114823 1.875189
H -6.056631 0.634213 2.030526
H 2.350873 -3.412939 0.466522
H 0.859635 -3.298368 -0.547831
H 0.742305 -3.096869 1.228327
H 4.524246 1.977580 -0.008064
H 5.126382 0.416772 -0.700760
H 5.019054 0.610532 1.071456


