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	hartrees
Energy at 0K	-46.243986
Energy at 298.15K	-46.252185
HF Energy	-45.787558
Nuclear repulsion energy	98.884783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3079	7.48
2	A'	3160	3053	41.95
3	A'	3050	2947	88.68
4	A'	3031	2929	99.22
5	A'	3026	2924	77.28
6	A'	1629	1574	396.83
7	A'	1547	1495	12.59
8	A'	1531	1479	9.44
9	A'	1492	1442	27.15
10	A'	1476	1426	18.13
11	A'	1425	1377	76.51
12	A'	1395	1348	2.72
13	A'	1271	1228	35.09
14	A'	1101	1064	121.63
15	A'	1093	1056	7.08
16	A'	847	819	2.06
17	A'	628	607	6.50
18	A'	382	369	1.62
19	A'	306	295	12.25
20	A"	3122	3017	42.18
21	A"	3115	3010	81.27
22	A"	1524	1473	20.37
23	A"	1503	1452	6.10
24	A"	1182	1142	5.94
25	A"	1138	1100	0.13
26	A"	969	936	1.13
27	A"	332	321	36.56
28	A"	225	217	1.95
29	A"	140	136	0.15
30	A"	95	92	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.724	-0.839	0.000
O2	0.208	-2.015	0.000
N3	0.000	0.361	0.000
C4	-1.494	0.350	0.000
C5	0.688	1.685	0.000
H6	1.825	-0.677	0.000
H7	-1.834	-0.701	0.000
H8	-1.878	0.868	0.905
H9	-1.878	0.868	-0.905
H10	1.784	1.530	0.000
H11	0.405	2.267	-0.903
H12	0.405	2.267	0.903

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2844	1.4015	2.5170	2.5238	1.1125	2.5613	3.2407	3.2407	2.5957	3.2500	3.2500
O2	1.2844		2.3854	2.9142	3.7308	2.0987	2.4283	3.6720	3.6720	3.8801	4.3806	4.3806
N3	1.4015	2.3854		1.4945	1.4916	2.0992	2.1189	2.1451	2.1451	2.1333	2.1474	2.1474
C4	2.5170	2.9142	1.4945		2.5581	3.4743	1.1040	1.1111	1.1111	3.4849	2.8458	2.8458
C5	2.5238	3.7308	1.4916	2.5581		2.6208	3.4709	2.8402	2.8402	1.1074	1.1112	1.1112
H6	1.1125	2.0987	2.0992	3.4743	2.6208		3.6583	4.1125	4.1125	2.2074	3.3904	3.3904
H7	2.5613	2.4283	2.1189	1.1040	3.4709	3.6583		1.8119	1.8119	4.2506	3.8254	3.8254
H8	3.2407	3.6720	2.1451	1.1111	2.8402	4.1125	1.8119		1.8101	3.8298	3.2306	2.6770
H9	3.2407	3.6720	2.1451	1.1111	2.8402	4.1125	1.8119	1.8101		3.8298	2.6770	3.2306
H10	2.5957	3.8801	2.1333	3.4849	1.1074	2.2074	4.2506	3.8298	3.8298		1.8057	1.8057
H11	3.2500	4.3806	2.1474	2.8458	1.1112	3.3904	3.8254	3.2306	2.6770	1.8057		1.8068
H12	3.2500	4.3806	2.1474	2.8458	1.1112	3.3904	3.8254	2.6770	3.2306	1.8057	1.8068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.674	C1	N3	C5	121.437
O2	C1	N3	125.216	O2	C1	H6	122.065
N3	C1	H6	112.719	N3	C4	H7	108.317
N3	C4	H8	109.957	N3	C4	H9	109.957
N3	C5	H10	109.447	N3	C5	H11	110.336
N3	C5	H12	110.336	C4	N3	C5	117.888
H7	C4	H8	109.759	H7	C4	H9	109.759
H8	C4	H9	109.082	H10	C5	H11	108.956
H10	C5	H12	108.956	H11	C5	H12	108.778

All results from a given calculation for C₃H₇NO (dimethylformamide)

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 C3H7NO (dimethylformamide)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)