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	hartrees
Energy at 0K	-286.982697
Energy at 298.15K	-286.993274
HF Energy	-286.070112
Nuclear repulsion energy	237.878539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3565	31.94
2	A	3599	3428	32.31
3	A	3178	3027	28.61
4	A	3176	3025	45.27
5	A	3156	3006	0.03
6	A	3121	2973	9.48
7	A	3107	2959	15.05
8	A	3076	2930	27.84
9	A	3065	2919	15.32
10	A	1815	1729	216.43
11	A	1619	1542	97.63
12	A	1504	1433	4.26
13	A	1498	1427	6.67
14	A	1485	1415	3.42
15	A	1461	1392	4.93
16	A	1432	1364	82.16
17	A	1413	1346	7.45
18	A	1359	1294	37.92
19	A	1327	1264	3.16
20	A	1256	1196	40.04
21	A	1251	1192	3.59
22	A	1156	1101	1.32
23	A	1113	1060	0.71
24	A	1104	1052	0.83
25	A	1076	1025	5.63
26	A	949	904	2.04
27	A	889	846	0.77
28	A	861	820	3.05
29	A	755	719	6.60
30	A	627	597	35.37
31	A	624	594	7.53
32	A	498	474	33.53
33	A	442	421	21.53
34	A	387	369	175.55
35	A	346	330	6.45
36	A	260	248	0.02
37	A	181	173	7.72
38	A	102	97	0.19
39	A	35	33	1.95

Atom	x (Å)	y (Å)	z (Å)
C1	-2.729	-0.236	0.011
H2	-2.860	-0.733	0.988
H3	-3.545	0.496	-0.106
H4	-2.852	-1.004	-0.773
C5	-1.360	0.437	-0.085
H6	-1.254	0.955	-1.054
H7	-1.257	1.218	0.687
C8	-0.214	-0.561	0.070
H9	-0.263	-1.341	-0.713
H10	-0.300	-1.091	1.039
N11	2.213	-0.775	-0.115
H12	3.129	-0.381	0.078
H13	2.076	-1.737	0.176
C14	1.157	0.107	0.019
O15	1.314	1.321	0.049

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1040	1.1022	1.1039	1.5293	2.1749	2.1774	2.5366	2.7978	2.7728	4.9732	5.8610	5.0369	3.9016	4.3331
H2	1.1040		1.7821	1.7819	2.1844	3.0982	2.5429	2.8059	3.1640	2.5853	5.1919	6.0686	5.1025	4.2169	4.7458
H3	1.1022	1.7821		1.7822	2.1858	2.5213	2.5269	3.4984	3.8097	3.7890	5.8963	6.7339	6.0546	4.7195	4.9307
H4	1.1039	1.7819	1.7822		2.1855	2.5435	3.1004	2.8039	2.6115	3.1304	5.1122	6.0733	5.0712	4.2343	4.8409
C5	1.5293	2.1844	2.1858	2.1855		1.1038	1.1027	1.5270	2.1812	2.1729	3.7728	4.5659	4.0741	2.5405	2.8193
H6	2.1749	3.0982	2.5213	2.5435	1.1038		1.7609	2.1543	2.5234	3.0784	3.9865	4.7200	4.4547	2.7718	2.8189
H7	2.1774	2.5429	2.5269	3.1004	1.1027	1.7609		2.1516	3.0808	2.5236	4.0806	4.7076	4.4829	2.7397	2.6505
C8	2.5366	2.8059	3.4984	2.8039	1.5270	2.1543	2.1516		1.1060	1.1080	2.4438	3.3486	2.5768	1.5260	2.4242
H9	2.7978	3.1640	3.8097	2.6115	2.1812	2.5234	3.0808	1.1060		1.7699	2.6086	3.6127	2.5328	2.1551	3.1858
H10	2.7728	2.5853	3.7890	3.1304	2.1729	3.0784	2.5236	1.1080	1.7699		2.7837	3.6320	2.6096	2.1447	3.0665
N11	4.9732	5.1919	5.8963	5.1122	3.7728	3.9865	4.0806	2.4438	2.6086	2.7837		1.0162	1.0140	1.3821	2.2864
H12	5.8610	6.0686	6.7339	6.0733	4.5659	4.7200	4.7076	3.3486	3.6127	3.6320	1.0162		1.7198	2.0325	2.4883
H13	5.0369	5.1025	6.0546	5.0712	4.0741	4.4547	4.4829	2.5768	2.5328	2.6096	1.0140	1.7198		2.0657	3.1536
C14	3.9016	4.2169	4.7195	4.2343	2.5405	2.7718	2.7397	1.5260	2.1551	2.1447	1.3821	2.0325	2.0657		1.2247
O15	4.3331	4.7458	4.9307	4.8409	2.8193	2.8189	2.6505	2.4242	3.1858	3.0665	2.2864	2.4883	3.1536	1.2247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.331	C1	C5	H7	110.592
C1	C5	C8	112.189	H2	C1	H3	107.760
H2	C1	H4	107.619	H2	C1	C5	111.072
H3	C1	H4	107.767	H3	C1	C5	111.291
H4	C1	C5	111.160	C5	C8	H9	110.865
C5	C8	H10	110.084	C5	C8	C14	112.638
H6	C5	H7	105.889	H6	C5	C8	108.886
H7	C5	C8	108.736	C8	C14	N11	114.259
C8	C14	O15	123.228	H9	C8	H10	106.147
H9	C8	C14	108.887	H10	C8	C14	107.970
N11	C14	O15	122.474	H12	N11	H13	115.799
H12	N11	C14	115.030	H13	N11	C14	118.302

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)