%chk=000258320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258320

0 1
O -5.180593 -1.099071 -0.991198
O -5.223975 1.559623 -0.033560
N -1.675910 -0.772198 0.059461
N 1.212413 -0.542026 0.075423
C -0.919268 -0.398484 -1.181261
C -0.829820 -1.677331 0.905825
C 0.372858 0.344504 -0.788010
C 0.462833 -0.938243 1.307112
C -2.977380 -1.427187 -0.279034
C -4.008645 -0.338300 -0.635186
C 2.593222 -0.228425 0.209515
C -4.321865 0.586006 0.550730
C 3.256850 0.523305 -0.785198
C 3.348213 -0.764312 1.280728
C 4.640478 0.723454 -0.716414
C 4.723718 -0.554483 1.333174
C 5.380562 0.186773 0.348126
C 5.321375 1.513687 -1.789054
C -5.708238 2.531092 0.909745
H -1.556713 0.277893 -1.791027
H -0.668972 -1.277403 -1.815690
H -0.572893 -2.631480 0.395013
H -1.400097 -1.934202 1.824266
H 0.938438 0.606538 -1.711576
H 0.121990 1.297008 -0.269449
H 0.215522 -0.052344 1.934147
H 1.094266 -1.618043 1.924066
H -2.920596 -2.154318 -1.119470
H -3.352307 -2.008104 0.592384
H -3.711120 0.259047 -1.526551
H -3.414221 1.092306 0.924549
H -4.830284 0.057270 1.372692
H 2.699741 0.937336 -1.622047
H 2.864639 -1.353806 2.055146
H -5.953855 -0.492712 -1.055721
H 5.297144 -0.975473 2.159705
H 6.452299 0.342233 0.406703
H 4.858559 2.502069 -1.915370
H 6.386151 1.680111 -1.581779
H 5.257845 0.997069 -2.757616
H -6.288668 2.045678 1.699662
H -6.351222 3.167895 0.289307
H -4.878373 3.109550 1.326336


%chk=000258320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258320

0 1
O -5.291324 -1.122798 -0.815038
O -5.352517 1.569943 -0.161050
N -1.671818 -0.831225 0.111364
N 1.222325 -0.596097 0.097735
C -0.923847 -0.624250 -1.153220
C -0.838614 -1.630878 1.042733
C 0.402686 0.115377 -0.901135
C 0.475100 -0.892353 1.342892
C -3.018701 -1.417724 -0.100426
C -4.042246 -0.380199 -0.591156
C 2.619041 -0.346233 0.161298
C -4.278090 0.745756 0.420405
C 3.242232 0.638663 -0.661341
C 3.455503 -1.108439 1.033971
C 4.642847 0.852091 -0.643423
C 4.844135 -0.886169 1.064625
C 5.448414 0.085395 0.232536
C 5.264844 1.891141 -1.563443
C -5.795184 2.635468 0.734288
H -1.535178 -0.021946 -1.848594
H -0.704087 -1.603228 -1.650681
H -0.601842 -2.640404 0.620565
H -1.395535 -1.773857 1.987097
H 0.955193 0.159150 -1.855759
H 0.182340 1.160520 -0.578601
H 0.234602 0.054438 1.879914
H 1.090586 -1.511808 2.012878
H -3.009115 -2.263184 -0.829683
H -3.382341 -1.826807 0.860915
H -3.711031 0.080849 -1.546661
H -3.354093 1.339150 0.570649
H -4.611021 0.324396 1.394932
H 2.634166 1.272973 -1.314533
H 3.029305 -1.894241 1.665279
H -6.002488 -0.437143 -0.926617
H 5.465301 -1.487165 1.739324
H 6.531963 0.246454 0.264515
H 4.631944 2.793575 -1.644682
H 6.260263 2.204098 -1.203003
H 5.394431 1.489261 -2.587378
H -6.197537 2.225482 1.684952
H -6.591273 3.180258 0.202744
H -4.965243 3.334214 0.969417


