%chk=000271064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271064

0 1
O 0.556903 -0.266518 1.217578
O 1.335262 1.321475 -1.505615
N 1.713132 0.130992 -0.821454
C 0.472399 -0.495919 -0.219684
C 2.660728 0.489143 0.313703
C 1.917359 0.015582 1.598713
C -0.843958 0.149580 -0.672891
C 0.561286 -2.001383 -0.470316
C -2.057446 -0.430953 0.060523
C 3.941552 -0.322382 0.085886
C 2.968307 1.985347 0.380362
C -3.341785 0.324186 -0.304346
C -4.560622 -0.261481 0.422527
C -5.844043 0.485768 0.066456
H 2.337109 -0.906270 2.030573
H 1.828733 0.789974 2.376333
H -0.951802 0.036984 -1.768125
H -0.781611 1.244547 -0.489282
H 1.561968 -2.393620 -0.253931
H -0.143470 -2.533965 0.180620
H 0.328651 -2.247942 -1.511537
H -2.170056 -1.505564 -0.177316
H -1.879259 -0.377333 1.155515
H 4.653523 -0.180376 0.904904
H 3.734423 -1.395614 -0.005431
H 4.438448 -0.020039 -0.844717
H 3.640260 2.223228 1.209662
H 3.437389 2.338605 -0.546569
H 2.047553 2.574127 0.500855
H -3.234154 1.396421 -0.049875
H -3.504457 0.290253 -1.398389
H 1.692410 1.154519 -2.432667
H -4.670333 -1.334181 0.170222
H -4.397726 -0.223816 1.517713
H -5.782196 1.545311 0.339820
H -6.707511 0.061597 0.590625
H -6.054767 0.436817 -1.007745


%chk=000271064-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271064

0 1
O 0.575192 0.056959 1.302290
O 1.298182 1.591526 -1.410196
N 1.674615 0.253177 -0.825599
C 0.462993 -0.352528 -0.134498
C 2.742071 0.468482 0.272786
C 2.013478 0.032018 1.594719
C -0.881684 0.180769 -0.652600
C 0.590859 -1.888648 -0.248246
C -2.107728 -0.436489 0.058863
C 3.952981 -0.438513 -0.039846
C 3.192795 1.942055 0.372548
C -3.421272 0.278251 -0.330199
C -4.668013 -0.330751 0.350980
C -5.976357 0.399759 -0.021694
H 2.331996 -0.983317 1.911001
H 2.183073 0.740309 2.421698
H -0.943363 -0.006848 -1.742385
H -0.882687 1.274602 -0.512542
H 1.594956 -2.240389 0.041461
H -0.147799 -2.373924 0.410614
H 0.411364 -2.205613 -1.290038
H -2.199235 -1.513664 -0.187593
H -1.959267 -0.367849 1.153868
H 4.694062 -0.388870 0.780775
H 3.648613 -1.491579 -0.168471
H 4.445464 -0.113073 -0.972777
H 3.969990 2.018785 1.155857
H 3.619082 2.300962 -0.578408
H 2.350056 2.600675 0.636475
H -3.346014 1.352318 -0.060938
H -3.553307 0.242910 -1.432603
H 1.452534 1.427968 -2.376345
H -4.749060 -1.401860 0.073684
H -4.528384 -0.304865 1.450931
H -5.932541 1.464821 0.274730
H -6.852101 -0.054209 0.477807
H -6.153345 0.363741 -1.113407


