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	hartrees
Energy at 0K	-287.061352
Energy at 298.15K	-287.071939
HF Energy	-286.071745
Nuclear repulsion energy	239.074556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3844	3581	42.01
2	A	3708	3454	46.77
3	A	3213	2993	45.70
4	A	3210	2991	37.82
5	A	3190	2972	5.53
6	A	3163	2947	14.43
7	A	3142	2927	22.62
8	A	3120	2907	31.36
9	A	3114	2901	11.79
10	A	1850	1723	354.57
11	A	1690	1574	115.21
12	A	1562	1455	6.28
13	A	1554	1447	7.39
14	A	1548	1442	1.92
15	A	1528	1424	7.30
16	A	1481	1380	63.53
17	A	1471	1370	11.82
18	A	1408	1312	51.92
19	A	1361	1268	18.32
20	A	1310	1221	63.52
21	A	1295	1206	3.25
22	A	1178	1097	1.08
23	A	1158	1079	1.68
24	A	1118	1041	4.07
25	A	1094	1019	3.34
26	A	962	896	2.51
27	A	915	852	0.76
28	A	887	827	1.14
29	A	770	717	3.93
30	A	674	628	5.47
31	A	623	580	30.03
32	A	523	487	14.54
33	A	436	407	2.47
34	A	351	327	22.08
35	A	345	321	219.19
36	A	248	231	0.18
37	A	189	176	8.93
38	A	94	88	0.82
39	A	31	29	4.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.722	-0.241	0.004
H2	-2.855	-0.729	0.970
H3	-3.527	0.482	-0.118
H4	-2.834	-0.999	-0.770
C5	-1.360	0.441	-0.083
H6	-1.255	0.946	-1.043
H7	-1.272	1.211	0.680
C8	-0.216	-0.552	0.082
H9	-0.270	-1.325	-0.687
H10	-0.300	-1.065	1.043
N11	2.204	-0.771	-0.087
H12	3.133	-0.401	0.001
H13	2.075	-1.757	0.043
C14	1.155	0.107	0.022
O15	1.317	1.314	0.042

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0900	1.0884	1.0899	1.5260	2.1582	2.1604	2.5265	2.7691	2.7617	4.9552	5.8575	5.0316	3.8932	4.3283
H2	1.0900		1.7608	1.7617	2.1709	3.0685	2.5200	2.7901	3.1282	2.5783	5.1681	6.0747	5.1211	4.2046	4.7368
H3	1.0884	1.7608		1.7608	2.1675	2.4960	2.5001	3.4738	3.7678	3.7623	5.8657	6.7189	6.0350	4.6991	4.9172
H4	1.0899	1.7617	1.7608		2.1720	2.5199	3.0705	2.7889	2.5855	3.1168	5.0885	6.0460	5.0333	4.2147	4.8207
C5	1.5260	2.1709	2.1675	2.1720		1.0895	1.0884	1.5230	2.1612	2.1590	3.7638	4.5717	4.0799	2.5395	2.8185
H6	2.1582	3.0685	2.4960	2.5199	1.0895		1.7436	2.1417	2.5013	3.0514	3.9783	4.7077	4.4248	2.7660	2.8161
H7	2.1604	2.5200	2.5001	3.0705	1.0884	1.7436		2.1402	3.0510	2.5018	4.0743	4.7398	4.5190	2.7471	2.6688
C8	2.5265	2.7901	3.4738	2.7889	1.5230	2.1417	2.1402		1.0924	1.0937	2.4355	3.3535	2.5895	1.5223	2.4147
H9	2.7691	3.1282	3.7678	2.5855	2.1612	2.5013	3.0510	1.0924		1.7505	2.6051	3.5931	2.4943	2.1415	3.1649
H10	2.7617	2.5783	3.7623	3.1168	2.1590	3.0514	2.5018	1.0937	1.7505		2.7625	3.6485	2.6684	2.1292	3.0456
N11	4.9552	5.1681	5.8657	5.0885	3.7638	3.9783	4.0743	2.4355	2.6051	2.7625		1.0044	1.0024	1.3715	2.2692
H12	5.8575	6.0747	6.7189	6.0460	4.5717	4.7077	4.7398	3.3535	3.5931	3.6485	1.0044		1.7201	2.0418	2.4978
H13	5.0316	5.1211	6.0350	5.0333	4.0799	4.4248	4.5190	2.5895	2.4943	2.6684	1.0024	1.7201		2.0782	3.1628
C14	3.8932	4.2046	4.6991	4.2147	2.5395	2.7660	2.7471	1.5223	2.1415	2.1292	1.3715	2.0418	2.0782		1.2181
O15	4.3283	4.7368	4.9172	4.8207	2.8185	2.8161	2.6688	2.4147	3.1649	3.0456	2.2692	2.4978	3.1628	1.2181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.097	C1	C5	H7	110.332
C1	C5	C8	111.919	H2	C1	H3	107.859
H2	C1	H4	107.834	H2	C1	C5	111.072
H3	C1	H4	107.868	H3	C1	C5	110.895
H4	C1	C5	111.165	C5	C8	H9	110.370
C5	C8	H10	110.114	C5	C8	C14	113.002
H6	C5	H7	106.376	H6	C5	C8	109.006
H7	C5	C8	108.945	C8	C14	N11	114.520
C8	C14	O15	123.181	H9	C8	H10	106.409
H9	C8	C14	108.862	H10	C8	C14	107.838
N11	C14	O15	122.284	H12	N11	H13	118.000
H12	N11	C14	117.659	H13	N11	C14	121.411

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)