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	hartrees
Energy at 0K	-248.432575
Energy at 298.15K	-248.440907
HF Energy	-248.432575
Nuclear repulsion energy	180.045943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3074	3057	1.94
2	A'	3034	3017	16.45
3	A'	2941	2925	58.81
4	A'	2929	2913	51.68
5	A'	2830	2815	100.39
6	A'	1724	1715	328.78
7	A'	1501	1493	8.48
8	A'	1466	1458	14.18
9	A'	1430	1422	8.39
10	A'	1397	1390	5.04
11	A'	1389	1381	1.80
12	A'	1362	1354	72.87
13	A'	1229	1223	32.50
14	A'	1061	1055	109.47
15	A'	1053	1047	2.10
16	A'	843	838	1.32
17	A'	638	634	6.18
18	A'	380	378	1.48
19	A'	312	310	10.76
20	A"	2984	2967	26.32
21	A"	2969	2953	45.01
22	A"	1460	1452	9.79
23	A"	1438	1430	2.77
24	A"	1149	1143	1.83
25	A"	1102	1096	0.08
26	A"	977	971	0.01
27	A"	330	328	10.99
28	A"	229	228	1.10
29	A"	183	182	0.09
30	A"	136	136	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.700	-0.835	0.000
O2	0.206	-1.956	0.000
N3	0.000	0.351	0.000
C4	-1.463	0.340	0.000
C5	0.674	1.643	0.000
H6	1.802	-0.651	0.000
H7	-1.786	-0.708	0.000
H8	-1.859	0.851	0.895
H9	-1.859	0.851	-0.895
H10	1.763	1.486	0.000
H11	0.407	2.235	-0.894
H12	0.407	2.235	0.894

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2255	1.3774	2.4615	2.4776	1.1167	2.4899	3.1926	3.1926	2.5528	3.2106	3.2106
O2	1.2255		2.3167	2.8388	3.6293	2.0614	2.3512	3.5982	3.5982	3.7782	4.2901	4.2901
N3	1.3774	2.3167		1.4627	1.4570	2.0619	2.0768	2.1227	2.1227	2.0970	2.1242	2.1242
C4	2.4615	2.8388	1.4627		2.5028	3.4117	1.0971	1.1041	1.1041	3.4236	2.8077	2.8077
C5	2.4776	3.6293	1.4570	2.5028		2.5558	3.4033	2.8009	2.8009	1.1001	1.1051	1.1051
H6	1.1167	2.0614	2.0619	3.4117	2.5558		3.5886	4.0568	4.0568	2.1375	3.3278	3.3278
H7	2.4899	2.3512	2.0768	1.0971	3.4033	3.5886		1.7994	1.7994	4.1732	3.7775	3.7775
H8	3.1926	3.5982	2.1227	1.1041	2.8009	4.0568	1.7994		1.7898	3.7848	3.2009	2.6546
H9	3.1926	3.5982	2.1227	1.1041	2.8009	4.0568	1.7994	1.7898		3.7848	2.6546	3.2009
H10	2.5528	3.7782	2.0970	3.4236	1.1001	2.1375	4.1732	3.7848	3.7848		1.7889	1.7889
H11	3.2106	4.2901	2.1242	2.8077	1.1051	3.3278	3.7775	3.2009	2.6546	1.7889		1.7873
H12	3.2106	4.2901	2.1242	2.8077	1.1051	3.3278	3.7775	2.6546	3.2009	1.7889	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.125	C1	N3	C5	121.859
O2	C1	N3	125.663	O2	C1	H6	123.246
N3	C1	H6	111.091	N3	C4	H7	107.593
N3	C4	H8	110.811	N3	C4	H9	110.811
N3	C5	H10	109.397	N3	C5	H11	111.271
N3	C5	H12	111.271	C4	N3	C5	118.016
H7	C4	H8	109.659	H7	C4	H9	109.659
H8	C4	H9	108.302	H10	C5	H11	108.436
H10	C5	H12	108.436	H11	C5	H12	107.940

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: BLYP/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	0.114
2	O	-0.300
3	N	0.043
4	C	-0.320
5	C	-0.314
6	H	0.051
7	H	0.152
8	H	0.111
9	H	0.111
10	H	0.124
11	H	0.115
12	H	0.115

	x	y	z
x	7.281	-0.246	0.000
y	-0.246	8.455	0.000
z	0.000	0.000	4.830

<r²>	125.656
(<r²>)^1/2	11.210

All results from a given calculation for C3H7NO (dimethylformamide)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)