%chk=000258349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258349

0 1
O 1.341950 -3.145603 -0.000475
O -4.151722 0.993665 0.000978
N 2.195537 -0.996568 -0.000120
N -2.678254 -0.784171 0.001141
C 2.414086 1.924553 -0.000017
C 1.085826 1.192280 0.000260
C 0.987998 -0.225204 0.000203
C 2.563358 2.775887 1.267775
C 2.562476 2.776634 -1.267409
C -0.103073 1.931110 0.000621
C -0.262112 -0.854645 0.000481
C -1.435925 -0.076313 0.000833
C -1.358358 1.323864 0.000907
C 2.304282 -2.404542 -0.000490
C -3.969237 -0.206178 0.001138
C 3.727304 -2.894912 -0.000874
C -5.080644 -1.220013 0.001388
H 3.258156 1.180450 -0.000543
H 2.417468 2.171112 2.170288
H 1.826139 3.586193 1.304058
H 3.554747 3.236153 1.325587
H 2.415832 2.172411 -2.170172
H 3.553875 3.236819 -1.325705
H 1.825328 3.587049 -1.302646
H -0.050744 3.022273 0.000682
H -0.320369 -1.948205 0.000402
H -2.267052 1.933436 0.001164
H 3.062305 -0.438282 -0.000176
H -2.600183 -1.805152 0.001281
H 4.284565 -2.572578 -0.890033
H 3.738464 -3.998567 -0.001219
H 4.284835 -2.573135 0.888320
H -5.062995 -1.864885 -0.887151
H -6.055236 -0.702631 0.001317
H -5.062927 -1.864505 0.890203


%chk=000258349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258349

0 1
O 1.302551 -3.237638 -0.000195
O -4.279108 1.016269 0.001367
N 2.153220 -1.040216 -0.000200
N -2.720587 -0.741948 0.000966
C 2.446798 1.940611 -0.000196
C 1.103759 1.193152 0.000077
C 0.974452 -0.234245 0.000068
C 2.617500 2.803082 1.280530
C 2.616311 2.804414 -1.280180
C -0.093749 1.947180 0.000473
C -0.306531 -0.838480 0.000358
C -1.478039 -0.044990 0.000700
C -1.377441 1.369672 0.000783
C 2.280162 -2.430560 -0.000301
C -4.017142 -0.222497 0.001288
C 3.733936 -2.909464 -0.000590
C -5.107326 -1.296463 0.001444
H 3.292709 1.221226 -0.001007
H 2.536463 2.185180 2.192657
H 1.837851 3.583962 1.335375
H 3.602189 3.306563 1.283596
H 2.534469 2.187446 -2.192865
H 3.600988 3.307915 -1.283606
H 1.836610 3.585339 -1.333520
H -0.023128 3.041292 0.000540
H -0.362025 -1.930944 0.000318
H -2.280980 1.980274 0.001069
H 3.033041 -0.520930 -0.000329
H -2.642613 -1.762333 0.000890
H 4.275289 -2.551572 -0.896043
H 3.739602 -4.008616 -0.000760
H 4.275538 -2.551854 0.894826
H -5.035865 -1.941941 -0.893680
H -6.087592 -0.799171 0.001576
H -5.035614 -1.941913 0.896568


