%chk=000257053.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257053

0 1
O 3.891223 -0.137626 -0.513141
N 2.016569 1.165959 -0.639549
N 2.204582 -0.622962 0.965313
C -0.110679 0.225618 0.320425
C -1.400377 0.670213 1.056378
C -0.350428 -0.710528 -0.883710
C 0.653599 1.494573 -0.173397
C 0.800647 -0.438426 1.399545
C -2.469500 1.548610 0.366471
C -0.889749 -2.147568 -0.703414
C 2.767399 0.118545 -0.092720
C -2.002350 2.984853 0.098175
C -3.058743 0.935184 -0.905423
C 0.146730 -3.110427 -0.109317
C -2.207166 -2.237049 0.070972
H -1.911781 -0.255252 1.409771
H -1.100452 1.206298 1.982266
H -1.036312 -0.180126 -1.584097
H 0.606319 -0.801600 -1.444350
H 0.094764 1.977931 -1.008220
H 0.709387 2.238340 0.654519
H 0.824434 0.198868 2.315204
H 0.373266 -1.423622 1.702021
H -3.309208 1.618326 1.114116
H -1.101230 -2.509725 -1.748705
H 2.472188 1.798387 -1.288821
H 2.613277 -1.542054 1.127838
H -1.306967 3.038874 -0.749255
H -1.505191 3.421522 0.969983
H -2.852527 3.631666 -0.148556
H -2.300921 0.836988 -1.697709
H -3.876481 1.544627 -1.302398
H -3.453291 -0.076041 -0.716156
H 0.307591 -2.925498 0.961144
H 1.115749 -3.018796 -0.612625
H -0.177913 -4.151571 -0.212762
H -2.098346 -1.880959 1.104963
H -2.576088 -3.266874 0.112316
H -2.988122 -1.620078 -0.401694


%chk=000257053-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257053

0 1
O 3.930454 -0.221130 -0.424289
N 1.978548 1.037418 -0.689631
N 2.068587 -0.673989 0.914475
C -0.188527 0.212704 0.272399
C -1.501933 0.713400 0.971227
C -0.418408 -0.833934 -0.877112
C 0.602506 1.419138 -0.323521
C 0.724881 -0.347809 1.409936
C -2.510761 1.718499 0.314047
C -0.825512 -2.327793 -0.628782
C 2.734022 0.038907 -0.077581
C -2.048710 3.199810 0.328209
C -3.036985 1.333929 -1.090788
C 0.334398 -3.255572 -0.179995
C -2.071325 -2.559124 0.263367
H -2.080416 -0.185189 1.249875
H -1.200615 1.183597 1.932703
H -1.184397 -0.401995 -1.547016
H 0.514676 -0.868571 -1.473976
H 0.094235 1.789370 -1.232991
H 0.606758 2.246646 0.416758
H 0.781244 0.413141 2.219687
H 0.272591 -1.253274 1.851289
H -3.388988 1.674687 0.995430
H -1.106395 -2.680149 -1.645919
H 2.475645 1.559779 -1.410088
H 2.614096 -1.418657 1.345751
H -1.264794 3.404413 -0.421667
H -1.656333 3.489977 1.320940
H -2.902428 3.864682 0.096801
H -2.258854 1.446992 -1.868274
H -3.878510 1.995017 -1.372036
H -3.402665 0.290903 -1.121580
H 0.607321 -3.106026 0.880144
H 1.241616 -3.088340 -0.787407
H 0.035635 -4.315482 -0.293171
H -1.862439 -2.344386 1.328246
H -2.386351 -3.618142 0.202281
H -2.927966 -1.934847 -0.052339


