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	hartrees
Energy at 0K	-287.112412
Energy at 298.15K	-287.123047
HF Energy	-286.145801
Nuclear repulsion energy	239.256652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3761	3565	37.79
2	A	3618	3429	42.44
3	A	3173	3008	44.39
4	A	3171	3006	30.95
5	A	3152	2988	0.61
6	A	3135	2972	10.66
7	A	3097	2936	27.46
8	A	3081	2921	10.87
9	A	3077	2917	23.05
10	A	1779	1686	277.23
11	A	1638	1552	92.47
12	A	1528	1448	6.72
13	A	1524	1445	7.45
14	A	1512	1434	2.56
15	A	1492	1414	11.01
16	A	1438	1363	6.38
17	A	1430	1355	54.73
18	A	1383	1311	43.95
19	A	1342	1272	25.33
20	A	1288	1221	38.11
21	A	1274	1208	15.26
22	A	1159	1098	0.91
23	A	1140	1081	3.91
24	A	1087	1030	1.43
25	A	1076	1020	9.01
26	A	943	894	2.60
27	A	901	854	0.80
28	A	880	834	1.59
29	A	761	721	2.54
30	A	696	660	5.29
31	A	615	583	33.15
32	A	529	501	15.21
33	A	437	415	12.24
34	A	385	365	205.08
35	A	342	325	1.98
36	A	249	236	0.05
37	A	190	180	6.93
38	A	99	94	1.30
39	A	34	32	4.33

Atom	x (Å)	y (Å)	z (Å)
C1	2.693	-0.036	0.011
H2	2.872	-1.112	0.020
H3	3.411	0.428	-0.664
H4	2.862	0.351	1.016
C5	1.257	0.261	-0.432
H6	1.092	1.337	-0.451
H7	1.100	-0.129	-1.439
C8	0.234	-0.396	0.510
H9	0.390	0.001	1.517
H10	0.399	-1.471	0.530
N11	-1.561	1.179	-0.016
H12	-2.541	1.213	-0.282
H13	-1.436	1.686	0.857
C14	-1.166	-0.157	0.080
O15	-1.916	-1.074	-0.250

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0903	1.0893	1.0902	1.5322	2.1591	2.1560	2.5348	2.7517	2.7555	4.4243	5.3894	4.5534	3.8618	4.7315
H2	1.0903		1.7690	1.7698	2.1678	3.0637	2.4971	2.7775	3.1049	2.5513	4.9903	5.8996	5.2052	4.1505	4.7961
H3	1.0893	1.7690		1.7685	2.1728	2.4995	2.5000	3.4857	3.7500	3.7560	5.0697	6.0159	5.2335	4.6740	5.5501
H4	1.0902	1.7698	1.7685		2.1641	2.5015	3.0598	2.7790	2.5465	3.1029	4.6171	5.6240	4.5041	4.1672	5.1445
C5	1.5322	2.1678	2.1728	2.1641		1.0882	1.0910	1.5383	2.1493	2.1598	2.9926	3.9186	3.3086	2.5118	3.4471
H6	2.1591	3.0637	2.4995	2.5015	1.0882		1.7674	2.1591	2.4799	3.0542	2.6930	3.6394	2.8680	2.7591	3.8598
H7	2.1560	2.4971	2.5000	3.0598	1.0910	1.7674		2.1499	3.0434	2.4847	3.2890	4.0499	3.8732	2.7289	3.3774
C8	2.5348	2.7775	3.4857	2.7790	1.5383	2.1591	2.1499		1.0939	1.0882	2.4451	3.3044	2.6917	1.4842	2.3788
H9	2.7517	3.1049	3.7500	2.5465	2.1493	2.4799	3.0434	1.0939		1.7728	2.7473	3.6474	2.5715	2.1248	3.0979
H10	2.7555	2.5513	3.7560	3.1029	2.1598	3.0542	2.4847	1.0882	1.7728		3.3410	4.0633	3.6667	2.0927	2.4746
N11	4.4243	4.9903	5.0697	4.6171	2.9926	2.6930	3.2890	2.4451	2.7473	3.3410		1.0164	1.0178	1.3963	2.2923
H12	5.3894	5.8996	6.0159	5.6240	3.9186	3.6394	4.0499	3.3044	3.6474	4.0633	1.0164		1.6563	1.9747	2.3711
H13	4.5534	5.2052	5.2335	4.5041	3.3086	2.8680	3.8732	2.6917	2.5715	3.6667	1.0178	1.6563		2.0186	3.0121
C14	3.8618	4.1505	4.6740	4.1672	2.5118	2.7591	2.7289	1.4842	2.1248	2.0927	1.3963	1.9747	2.0186		1.2292
O15	4.7315	4.7961	5.5501	5.1445	3.4471	3.8598	3.3774	2.3788	3.0979	2.4746	2.2923	2.3711	3.0121	1.2292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.810	C1	C5	H7	109.398
C1	C5	C8	111.288	H2	C1	H3	108.507
H2	C1	H4	108.514	H2	C1	C5	110.372
H3	C1	H4	108.468	H3	C1	C5	110.832
H4	C1	C5	110.084	C5	C8	H9	108.297
C5	C8	H10	109.436	C5	C8	C14	112.399
H6	C5	H7	108.397	H6	C5	C8	109.382
H7	C5	C8	108.507	C8	C14	N11	116.145
C8	C14	O15	122.210	H9	C8	H10	108.664
H9	C8	C14	110.090	H10	C8	C14	107.892
N11	C14	O15	121.512	H12	N11	H13	109.025
H12	N11	C14	108.845	H13	N11	C14	112.533

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)