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	hartrees
Energy at 0K	-286.962458
Energy at 298.15K	-286.972997
HF Energy	-286.044673
Nuclear repulsion energy	238.926652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3768	3535	35.07
2	A	3646	3421	41.73
3	A	3180	2984	38.78
4	A	3179	2983	42.30
5	A	3158	2963	1.81
6	A	3126	2934	13.99
7	A	3121	2928	9.97
8	A	3095	2904	23.42
9	A	3080	2890	13.23
10	A	1887	1770	272.76
11	A	1683	1579	125.42
12	A	1569	1473	6.12
13	A	1562	1466	7.40
14	A	1554	1458	2.74
15	A	1536	1441	5.67
16	A	1489	1397	70.86
17	A	1477	1386	8.89
18	A	1408	1321	61.62
19	A	1368	1283	0.45
20	A	1306	1225	54.92
21	A	1299	1219	0.37
22	A	1183	1110	1.46
23	A	1160	1088	1.23
24	A	1129	1059	1.00
25	A	1095	1028	2.16
26	A	968	908	2.86
27	A	922	865	1.34
28	A	881	827	1.90
29	A	774	727	8.67
30	A	642	602	33.06
31	A	631	592	10.09
32	A	503	472	28.24
33	A	447	420	7.92
34	A	357	335	14.42
35	A	339	318	253.88
36	A	253	238	0.03
37	A	188	176	8.53
38	A	98	92	0.47
39	A	22	20	2.14

Atom	x (Å)	y (Å)	z (Å)
C1	-2.721	-0.239	0.006
H2	-2.854	-0.740	0.971
H3	-3.528	0.492	-0.106
H4	-2.840	-0.993	-0.780
C5	-1.356	0.439	-0.079
H6	-1.251	0.958	-1.037
H7	-1.262	1.206	0.695
C8	-0.214	-0.558	0.073
H9	-0.270	-1.330	-0.706
H10	-0.298	-1.086	1.034
N11	2.205	-0.766	-0.081
H12	3.136	-0.387	0.006
H13	2.084	-1.758	0.050
C14	1.154	0.107	0.018
O15	1.308	1.314	0.042

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0955	1.0943	1.0955	1.5273	2.1644	2.1664	2.5290	2.7763	2.7652	4.9554	5.8596	5.0405	3.8911	4.3189
H2	1.0955		1.7697	1.7701	2.1768	3.0803	2.5294	2.7953	3.1374	2.5804	5.1678	6.0782	5.1263	4.2065	4.7339
H3	1.0943	1.7697		1.7697	2.1732	2.5039	2.5073	3.4814	3.7808	3.7712	5.8695	6.7228	6.0487	4.6995	4.9079
H4	1.0955	1.7701	1.7697		2.1778	2.5289	3.0821	2.7952	2.5930	3.1240	5.0979	6.0578	5.0520	4.2188	4.8167
C5	1.5273	2.1768	2.1732	2.1778		1.0949	1.0938	1.5237	2.1679	2.1638	3.7590	4.5678	4.0838	2.5334	2.8065
H6	2.1644	3.0803	2.5039	2.5289	1.0949		1.7498	2.1468	2.5114	3.0620	3.9788	4.7056	4.4368	2.7608	2.7999
H7	2.1664	2.5294	2.5073	3.0821	1.0938	1.7498		2.1445	3.0623	2.5096	4.0635	4.7281	4.5168	2.7391	2.6542
C8	2.5290	2.7953	3.4814	2.7952	1.5237	2.1468	2.1445		1.0980	1.0993	2.4324	3.3549	2.5925	1.5221	2.4130
H9	2.7763	3.1374	3.7808	2.5930	2.1679	2.5114	3.0623	1.0980		1.7571	2.6139	3.6051	2.5095	2.1488	3.1684
H10	2.7652	2.5804	3.7712	3.1240	2.1638	3.0620	2.5096	1.0993	1.7571		2.7588	3.6525	2.6638	2.1365	3.0538
N11	4.9554	5.1678	5.8695	5.0979	3.7590	3.9788	4.0635	2.4324	2.6139	2.7588		1.0094	1.0078	1.3702	2.2687
H12	5.8596	6.0782	6.7228	6.0578	4.5678	4.7056	4.7281	3.3549	3.6051	3.6525	1.0094		1.7291	2.0427	2.4969
H13	5.0405	5.1263	6.0487	5.0520	4.0838	4.4368	4.5168	2.5925	2.5095	2.6638	1.0078	1.7291		2.0849	3.1688
C14	3.8911	4.2065	4.6995	4.2188	2.5334	2.7608	2.7391	1.5221	2.1488	2.1365	1.3702	2.0427	2.0849		1.2167
O15	4.3189	4.7339	4.9079	4.8167	2.8065	2.7999	2.6542	2.4130	3.1684	3.0538	2.2687	2.4969	3.1688	1.2167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.174	C1	C5	H7	110.392
C1	C5	C8	111.979	H2	C1	H3	107.829
H2	C1	H4	107.784	H2	C1	C5	111.123
H3	C1	H4	107.837	H3	C1	C5	110.909
H4	C1	C5	111.205	C5	C8	H9	110.519
C5	C8	H10	110.115	C5	C8	C14	112.559
H6	C5	H7	106.156	H6	C5	C8	109.041
H7	C5	C8	108.916	C8	C14	N11	114.386
C8	C14	O15	123.155	H9	C8	H10	106.199
H9	C8	C14	109.124	H10	C8	C14	108.095
N11	C14	O15	122.452	H12	N11	H13	117.994
H12	N11	C14	117.476	H13	N11	C14	121.761

All results from a given calculation for C₄H₉NO (Butanamide)

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

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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)