beyler delikanlı gibi ctrl v yapın bu başlıga

%chk=h2+acet
2. rhf/3-21g IRC(Maxpoints=24,RCFC, phase=(1,2)) NOSYMM

H2 + acetone --> ethanol TS

0 1
C
O 1 B1
C 1 B2 2 A1
C 1 B3 2 A2 3 D1
H 3 B4 1 A3 2 D2
H 3 B5 1 A4 2 D3
H 3 B6 1 A5 2 D4
H 4 B7 1 A6 2 D5
H 4 B8 1 A7 2 D6
H 4 B9 1 A8 2 D7
H 1 B10 2 A9 3 D8
H 2 B11 1 A10 3 D9

B1 1.36340392
B2 1.50096089
B3 1.50098608
B4 1.07912599
B5 1.08798862
B6 1.08007251
B7 1.07912783
B8 1.08007936
B9 1.08798725
B10 1.59128164
B11 1.32647621
A1 118.50992089
A2 118.51138691
A3 109.94927324
A4 106.37418657
A5 112.16497122
A6 109.94542713
A7 112.15748103
A8 106.38529559
A9 94.08161208
A10 65.94070086
D1 -151.78761388
D2 38.03828202
D3 -78.59318890
D4 161.81805327
D5 -37.97166474
D6 -161.74235415
D7 78.66980718
D8 104.10590999
D9 -104.11455628