%chk=000245394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245394

0 1
O 1.027738 3.056865 0.367152
O -2.801629 -1.912600 -0.003842
O -4.036636 -0.367510 -1.076855
N 0.302439 0.900808 0.577970
C 1.677645 0.498068 1.007306
C 2.454924 -0.138440 -0.153802
C -0.719006 -0.070496 0.412027
C -1.977902 1.580307 -0.981410
C -1.290516 2.677839 -0.171890
C -1.842870 0.241989 -0.302435
C 0.101176 2.282651 0.246667
C 3.849787 -0.580426 0.303995
C 4.637667 -1.220443 -0.848058
C -0.520882 -1.399048 1.055762
C -2.992024 -0.632542 -0.518315
C 6.027643 -1.665382 -0.400049
C -3.905099 -2.838403 -0.188826
H 2.209763 1.412155 1.371877
H 1.603369 -0.199682 1.871639
H 1.896273 -1.000068 -0.567360
H 2.541782 0.588798 -0.987043
H -1.543231 1.517750 -2.002288
H -3.051762 1.835832 -1.130312
H -1.882164 2.919457 0.739688
H -1.243526 3.625584 -0.750463
H 4.411357 0.288842 0.700335
H 3.768899 -1.296661 1.143964
H 4.079548 -2.087477 -1.252454
H 4.728119 -0.501555 -1.686593
H 0.355514 -1.471378 1.713785
H -0.439179 -2.195116 0.293435
H -1.408126 -1.675700 1.659796
H 6.583608 -2.118989 -1.228697
H 6.623022 -0.821960 -0.031308
H 5.976866 -2.407317 0.404761
H -3.520664 -3.763204 0.250080
H -4.119760 -2.947168 -1.257068
H -4.787463 -2.464979 0.340427


%chk=000245394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245394

0 1
O 1.097225 3.005251 0.321989
O -3.110313 -1.929980 0.137905
O -4.024240 -0.336876 -1.276000
N 0.308054 0.814294 0.547235
C 1.681985 0.412745 0.967163
C 2.521202 -0.141979 -0.205400
C -0.749296 -0.146534 0.457177
C -1.930538 1.499044 -1.018716
C -1.274006 2.592403 -0.162310
C -1.878635 0.157944 -0.292522
C 0.134835 2.190003 0.235368
C 3.931333 -0.575640 0.253011
C 4.802006 -1.115148 -0.904658
C -0.509844 -1.435779 1.214881
C -3.069397 -0.684987 -0.524696
C 6.207633 -1.555412 -0.442455
C -4.324467 -2.736147 -0.127347
H 2.166186 1.321694 1.361956
H 1.618707 -0.325831 1.782562
H 2.001168 -1.003743 -0.671029
H 2.605701 0.641410 -0.983038
H -1.406903 1.417932 -1.994085
H -2.977202 1.750833 -1.250104
H -1.864753 2.756438 0.761972
H -1.210104 3.556793 -0.691399
H 4.446628 0.286154 0.725482
H 3.844772 -1.357009 1.037788
H 4.283719 -1.970827 -1.383894
H 4.895510 -0.332280 -1.684196
H -0.318144 -1.228087 2.284597
H 0.369103 -1.977657 0.819140
H -1.386204 -2.087188 1.131363
H 6.809495 -1.937336 -1.287293
H 6.759162 -0.709827 0.009927
H 6.143212 -2.358109 0.316478
H -4.184382 -3.652423 0.464511
H -4.407694 -2.964717 -1.202995
H -5.226812 -2.189019 0.193231


