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	hartrees
Energy at 0K	-52.987616
Energy at 298.15K	-52.998114
HF Energy	-52.453559
Nuclear repulsion energy	130.396510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3768	3641	29.11
2	A	3606	3484	42.62
3	A	3141	3035	111.12
4	A	3129	3023	64.87
5	A	3115	3010	2.99
6	A	3106	3001	22.13
7	A	3054	2951	40.12
8	A	3041	2939	30.33
9	A	3024	2922	44.93
10	A	1692	1635	194.73
11	A	1628	1573	122.82
12	A	1532	1480	10.16
13	A	1530	1478	8.14
14	A	1521	1470	1.35
15	A	1506	1455	7.37
16	A	1453	1404	2.96
17	A	1430	1382	49.30
18	A	1380	1334	68.14
19	A	1342	1296	10.24
20	A	1310	1266	74.70
21	A	1276	1233	27.08
22	A	1159	1120	4.27
23	A	1135	1096	5.70
24	A	1076	1039	7.82
25	A	1064	1028	1.69
26	A	925	894	4.27
27	A	903	872	1.68
28	A	858	829	0.18
29	A	759	733	6.85
30	A	671	649	41.01
31	A	601	581	69.47
32	A	526	508	47.66
33	A	442	427	220.51
34	A	413	399	9.41
35	A	329	318	2.49
36	A	225	217	0.11
37	A	179	173	6.32
38	A	91	88	2.18
39	A	27	26	5.51

Atom	x (Å)	y (Å)	z (Å)
C1	-2.791	-0.179	0.003
H2	-2.988	-0.039	1.089
H3	-3.568	0.376	-0.565
H4	-2.900	-1.262	-0.230
C5	-1.355	0.333	-0.371
H6	-1.177	0.200	-1.462
H7	-1.257	1.416	-0.150
C8	-0.240	-0.441	0.423
H9	-0.295	-1.530	0.195
H10	-0.409	-0.313	1.516
N11	2.151	-0.873	-0.214
H12	3.103	-0.563	-0.413
H13	1.941	-1.869	-0.213
C14	1.179	0.100	0.097
O15	1.467	1.353	0.103

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1124	1.1112	1.1126	1.5697	2.2123	2.2189	2.5984	2.8441	2.8247	4.9949	5.9205	5.0294	3.9813	4.5262
H2	1.1124		1.8009	1.8007	2.2211	3.1369	2.5781	2.8554	3.2046	2.6276	5.3661	6.2942	5.4162	4.2856	4.7697
H3	1.1112	1.8009		1.8000	2.2221	2.5598	2.5686	3.5665	3.8628	3.8447	5.8643	6.7383	5.9597	4.8016	5.1723
H4	1.1126	1.8007	1.8000		2.2250	2.5737	3.1433	2.8593	2.6528	3.1865	5.0660	6.0460	4.8795	4.3133	5.1007
C5	1.5697	2.2211	2.2221	2.2250		1.1136	1.1102	1.5724	2.2169	2.2069	3.7107	4.5469	3.9672	2.5879	3.0376
H6	2.2123	3.1369	2.5598	2.5737	1.1136		1.7911	2.2007	2.5533	3.1179	3.7130	4.4722	3.9457	2.8277	3.2814
H7	2.2189	2.5781	2.5686	3.1433	1.1102	1.7911		2.1940	3.1188	2.5461	4.1058	4.7951	4.5853	2.7804	2.7362
C8	2.5984	2.8554	3.5665	2.8593	1.5724	2.2007	2.1940		1.1138	1.1135	2.5116	3.4477	2.6833	1.5538	2.4970
H9	2.8441	3.2046	3.8628	2.6528	2.2169	2.5533	3.1188	1.1138		1.7999	2.5660	3.5849	2.2988	2.2005	3.3801
H10	2.8247	2.6276	3.8447	3.1865	2.2069	3.1179	2.5461	1.1135	1.7999		3.1401	4.0144	3.3067	2.1696	2.8794
N11	4.9949	5.3661	5.8643	5.0660	3.7107	3.7130	4.1058	2.5116	2.5660	3.1401		1.0203	1.0177	1.4093	2.3494
H12	5.9205	6.2942	6.7383	6.0460	4.5469	4.4722	4.7951	3.4477	3.5849	4.0144	1.0203		1.7585	2.0971	2.5712
H13	5.0294	5.4162	5.9597	4.8795	3.9672	3.9457	4.5853	2.6833	2.2988	3.3067	1.0177	1.7585		2.1334	3.2712
C14	3.9813	4.2856	4.8016	4.3133	2.5879	2.8277	2.7804	1.5538	2.2005	2.1696	1.4093	2.0971	2.1334		1.2853
O15	4.5262	4.7697	5.1723	5.1007	3.0376	3.2814	2.7362	2.4970	3.3801	2.8794	2.3494	2.5712	3.2712	1.2853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.898	C1	C5	H7	110.611
C1	C5	C8	111.576	H2	C1	H3	108.173
H2	C1	H4	108.061	H2	C1	C5	110.654
H3	C1	H4	108.083	H3	C1	C5	110.810
H4	C1	C5	110.949	C5	C8	H9	110.060
C5	C8	H10	109.316	C5	C8	C14	111.745
H6	C5	H7	107.295	H6	C5	C8	108.833
H7	C5	C8	108.509	C8	C14	N11	115.828
C8	C14	O15	122.884	H9	C8	H10	107.824
H9	C8	C14	110.066	H10	C8	C14	107.719
N11	C14	O15	121.288	H12	N11	H13	119.275
H12	N11	C14	118.468	H13	N11	C14	122.219

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)