%chk=000256997.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256997

0 1
O -4.442588 -0.700269 -0.477508
O 1.352785 -2.316168 -0.683398
O -3.833711 -2.488853 -1.586447
O 1.284885 -0.258566 0.330867
N 3.210557 -1.080017 -0.757590
C -0.954817 -1.954975 -1.393109
C -2.019478 -1.078018 -0.804578
C -2.817061 0.868559 0.415691
C -1.746815 0.060183 -0.122283
C -0.044904 -2.566654 -0.328093
C -4.146571 0.448414 0.211301
C -3.400875 -1.521860 -1.017823
C -2.604897 2.063929 1.140916
C -5.253219 1.174542 0.698707
C -3.683802 2.787126 1.625639
C -5.005943 2.341771 1.403534
C 1.894522 -1.101448 -0.294558
C 4.138139 -0.008252 -0.541433
C 5.426409 -0.155788 -1.095027
C 3.794878 1.143474 0.184969
C 6.362478 0.862723 -0.912785
C 4.749661 2.148121 0.353179
C 6.030641 2.014610 -0.191396
H -1.413706 -2.761998 -2.010217
H -0.341050 -1.369676 -2.115560
H -0.708894 0.389216 0.046138
H -0.234821 -2.181228 0.689587
H -0.056377 -3.672900 -0.331978
H -1.583022 2.405974 1.313170
H -6.260963 0.806281 0.512524
H -3.520152 3.707431 2.183951
H -5.839204 2.928186 1.794599
H 3.545340 -1.900478 -1.274076
H 5.696834 -1.045571 -1.657722
H 2.795557 1.255311 0.615780
H 7.360841 0.756644 -1.337819
H 4.488926 3.044643 0.916649
H 6.767119 2.803181 -0.054602


%chk=000256997-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256997

0 1
O -4.382209 -1.204322 -0.174535
O 1.478154 -1.645921 -0.575926
O -2.756119 -2.525497 -1.124849
O 2.140252 0.398717 0.402542
N 3.623723 -0.999443 -0.817397
C -0.685108 -0.483567 -0.991792
C -2.101019 -0.268882 -0.498531
C -3.887212 1.093534 0.543037
C -2.529886 0.912856 0.072660
C 0.105140 -1.430260 -0.057712
C -4.795738 0.004180 0.400291
C -3.028089 -1.407150 -0.640575
C -4.366447 2.296772 1.135059
C -6.136837 0.092709 0.826163
C -5.700435 2.398428 1.563976
C -6.584104 1.295009 1.408335
C 2.410199 -0.632254 -0.265062
C 4.860152 -0.297686 -0.762060
C 5.971641 -0.884667 -1.424551
C 5.015658 0.938787 -0.081504
C 7.226249 -0.242954 -1.407658
C 6.279462 1.567775 -0.075497
C 7.389527 0.989392 -0.732650
H -0.702092 -0.936231 -2.000210
H -0.158218 0.484820 -1.045024
H -1.823349 1.745615 0.175482
H 0.167980 -1.010286 0.961782
H -0.340324 -2.435875 -0.043417
H -3.678838 3.142458 1.251546
H -6.797124 -0.769278 0.696054
H -6.062430 3.326010 2.018381
H -7.623304 1.377730 1.743478
H 3.610894 -1.890683 -1.318874
H 5.853194 -1.840546 -1.950732
H 4.159855 1.385316 0.428765
H 8.075205 -0.706500 -1.922142
H 6.393961 2.521559 0.451830
H 8.364339 1.487933 -0.719482


