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	hartrees
Energy at 0K	-247.811797
Energy at 298.15K	-247.819997
HF Energy	-247.006290
Nuclear repulsion energy	181.325878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3061	0.32
2	A'	3232	3036	14.73
3	A'	3111	2922	53.52
4	A'	3104	2916	57.83
5	A'	3071	2884	77.93
6	A'	1763	1656	518.87
7	A'	1585	1489	16.70
8	A'	1554	1460	11.67
9	A'	1507	1416	12.08
10	A'	1477	1387	29.77
11	A'	1472	1382	59.14
12	A'	1454	1366	27.68
13	A'	1318	1238	33.49
14	A'	1130	1061	108.87
15	A'	1110	1043	4.20
16	A'	891	837	1.62
17	A'	662	622	6.85
18	A'	395	371	1.49
19	A'	320	301	11.08
20	A"	3191	2997	9.82
21	A"	3181	2988	45.19
22	A"	1542	1448	16.41
23	A"	1521	1429	4.70
24	A"	1201	1128	5.89
25	A"	1153	1083	0.09
26	A"	1020	958	0.27
27	A"	328	308	17.73
28	A"	223	210	2.48
29	A"	147	138	0.63
30	A"	38	36	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.698	-0.820	0.000
O2	0.206	-1.950	0.000
N3	0.000	0.349	0.000
C4	-1.450	0.339	0.000
C5	0.666	1.634	0.000
H6	1.785	-0.656	0.000
H7	-1.783	-0.693	0.000
H8	-1.829	0.848	0.887
H9	-1.829	0.848	-0.887
H10	1.743	1.483	0.000
H11	0.391	2.208	-0.886
H12	0.391	2.208	0.886

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2332	1.3612	2.4409	2.4537	1.0992	2.4841	3.1552	3.1552	2.5288	3.1694	3.1694
O2	1.2332		2.3081	2.8253	3.6134	2.0424	2.3521	3.5715	3.5715	3.7620	4.2554	4.2554
N3	1.3612	2.3081		1.4498	1.4473	2.0482	2.0647	2.0932	2.0932	2.0794	2.0962	2.0962
C4	2.4409	2.8253	1.4498		2.4802	3.3845	1.0849	1.0904	1.0904	3.3911	2.7686	2.7686
C5	2.4537	3.6134	1.4473	2.4802		2.5482	3.3778	2.7621	2.7621	1.0871	1.0907	1.0907
H6	1.0992	2.0424	2.0482	3.3845	2.5482		3.5679	4.0137	4.0137	2.1393	3.3054	3.3054
H7	2.4841	2.3521	2.0647	1.0849	3.3778	3.5679		1.7787	1.7787	4.1429	3.7318	3.7318
H8	3.1552	3.5715	2.0932	1.0904	2.7621	4.0137	1.7787		1.7738	3.7346	3.1500	2.6038
H9	3.1552	3.5715	2.0932	1.0904	2.7621	4.0137	1.7787	1.7738		3.7346	2.6038	3.1500
H10	2.5288	3.7620	2.0794	3.3911	1.0871	2.1393	4.1429	3.7346	3.7346		1.7707	1.7707
H11	3.1694	4.2554	2.0962	2.7686	1.0907	3.3054	3.7318	3.1500	2.6038	1.7707		1.7719
H12	3.1694	4.2554	2.0962	2.7686	1.0907	3.3054	3.7318	2.6038	3.1500	1.7707	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.497	C1	N3	C5	121.745
O2	C1	N3	125.584	O2	C1	H6	122.146
N3	C1	H6	112.270	N3	C4	H7	108.228
N3	C4	H8	110.177	N3	C4	H9	110.177
N3	C5	H10	109.442	N3	C5	H11	110.575
N3	C5	H12	110.575	C4	N3	C5	117.758
H7	C4	H8	109.699	H7	C4	H9	109.699
H8	C4	H9	108.852	H10	C5	H11	108.789
H10	C5	H12	108.789	H11	C5	H12	108.628

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)