tugas 3-14030234023-ari wieliyani-ka'14.docx
TRANSCRIPT
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X sCH3COOH
sss
ATOM X(A) Y(A) Z(A)
C(1) 1.1063 -0.3058 0.2317C(2) -0.1433 0.5360 0.3150O(3) -0.1099 1.7369 0.4617O(4) -1.1268 -0.1429 -0.3343H(5) 1.1096 -1.0481 1.0610H(6) 2.0015 0.3486 0.3277H(7) 1.1243 -0.8480 -0.7401
H(8) -1.7676 0.5264 -0.6279Lp(9) -0.8273 -0.3471 -0.8127Lp(10) -1.3668 -0.4560 0.1180
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ATOM Bond
!o"
Bond
#$n%!&
An%#$
A!o"
An%#$
(')
2nd
n%#$
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2nd
n%#$
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2nd
n%#$
!p$C(2)
O(4) C(2) 1.3600Lp(9) O(4) 0.6002 C(2) 100.936
3Lp(10) O(4) 0.6001 C(2) 100.938
6
Lp(9) 128.506
5
*o-+
O(3) C(2) 1.2103 O(4) 124.965
5
Lp(9) 112.797
0
,&$d*#
C(1) C(2) 1.5090 O(3) 122.500
0
O(4) 107.100
0
*o-+
H(8) O(4) 0.9720 C(2) 106.100
0
O(3) -0.6330 ,&$d*#
H(5) C(1) 1.1130 C(2) 109.4700
O(3) 119.5700
,&$d*#
H(6) C(1) 1.1130 C(2) 109.470
0
H(5) 109.000
0
*o-
H(7) C(1) 1.1130 C(2) 109.470
0
H(5) 109.000
0
*o-+
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/AM++ o Mn"$ (n$*%/$o"$!*) H+TO-2/
ns& $n$*% -136902.813171 :#Mo# (-218.1687 H*!*$$s)
ATOM Bond
!o"
Bond
#$n%!&
An%#$
A!o"
An%#$
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2nd
n%#$
!o"
2nd
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!p$C(2)C(1) C(2) 1.5090O(4) C(2) 1.3600 C(1) 107.100
0O(3) C(2) 1.2103 C(1) 122.500
0
O(4) 124.965
5
*o-
H(5) C(1) 1.1130 C(2) 109.470
0
O(3) 119.570
0
,&$d*#
H(6) C(1) 1.1130 C(2) 109.470
0
H(5) 109.000
0
*o-
H(7) C(1) 1.1130 C(2) 109.470
0
H(5) 109.000
0
*o-+
H(8) O(4) 0.9720 C(2) 106.100
0
C(1) -
154.936
8
,&$d*#
ATOM X(A) Y(A) Z(A)C(1) 1.1063 -0.3058 0.2317
C(2) -0.1785 0.5597 0.3174O(3) -0.2590 1.6930 0.7603O(4) -1.2820 -0.1342 -0.1799H(5) 1.1237 -1.0403 1.0411H(6) 1.9921 0.3251 0.3191H(7) 1.1458 -0.8481 -0.7160H(8) -2.0379 0.5076 -0.0719
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------------ /AM++ ;n!$*