%chk=000245052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245052

0 1
O -5.981730 0.188278 0.432257
N 1.292306 -0.825092 0.335166
C 2.572300 -0.938567 -0.442872
C 3.146359 0.472530 -0.711884
C 0.118733 -0.503134 -0.533117
C -1.161411 -0.514167 0.318106
C -2.377837 -0.080175 -0.508827
C 3.394254 1.288088 0.563275
C 3.560385 -1.816656 0.337417
C -3.656402 -0.113363 0.333256
C 3.928021 2.683952 0.248243
C -4.870696 0.337405 -0.479125
H 2.395841 -1.421677 -1.443634
H 4.087890 0.372506 -1.283843
H 2.448522 1.027279 -1.368569
H 0.011655 -1.195902 -1.395990
H 0.282872 0.513620 -0.956162
H -1.029817 0.160786 1.189137
H -1.331218 -1.521040 0.744934
H 1.115193 -1.691862 0.852495
H -2.214058 0.940329 -0.907835
H -2.489050 -0.739668 -1.391586
H 2.447585 1.361094 1.139095
H 4.103456 0.753051 1.222811
H 4.549133 -1.810173 -0.134106
H 3.692032 -1.453245 1.365426
H 3.228366 -2.857672 0.393812
H -3.556129 0.530440 1.230654
H -3.842941 -1.131567 0.731648
H 4.875806 2.641775 -0.298935
H 3.221008 3.257543 -0.361119
H 4.103835 3.253835 1.167332
H -5.050326 -0.303216 -1.360100
H -4.800797 1.393836 -0.790220
H -6.801442 0.511829 0.018059


%chk=000245052-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000245052

0 1
O -6.082441 0.256460 0.464199
N 1.302080 -0.890940 0.270041
C 2.603916 -0.963675 -0.446204
C 3.186447 0.456126 -0.698629
C 0.140675 -0.454098 -0.533806
C -1.151653 -0.475292 0.306140
C -2.404729 -0.082299 -0.507994
C 3.495360 1.268375 0.578596
C 3.569429 -1.854997 0.363289
C -3.691723 -0.077505 0.347584
C 3.898177 2.725882 0.266166
C -4.935787 0.297546 -0.461600
H 2.469309 -1.438196 -1.454317
H 4.106952 0.347632 -1.309464
H 2.472449 1.032316 -1.322680
H -0.004490 -1.082619 -1.451822
H 0.322500 0.579170 -0.888403
H -1.027002 0.208987 1.167523
H -1.298562 -1.492167 0.729618
H 1.097111 -1.778978 0.750510
H -2.249939 0.923175 -0.953056
H -2.525291 -0.785951 -1.358388
H 2.600008 1.247374 1.228490
H 4.310805 0.779150 1.147262
H 4.571507 -1.870287 -0.101236
H 3.670259 -1.482887 1.398215
H 3.201612 -2.898300 0.408501
H -3.586544 0.637471 1.186217
H -3.852534 -1.077332 0.795806
H 4.798839 2.765670 -0.376563
H 3.085273 3.255996 -0.266329
H 4.119300 3.291231 1.190604
H -5.077569 -0.423910 -1.296614
H -4.815012 1.314586 -0.896165
H -6.907035 0.513283 -0.020289


