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	hartrees
Energy at 0K	-247.830732
Energy at 298.15K
HF Energy	-247.006510
Nuclear repulsion energy	181.082737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3058	1.19
2	A'	3198	3023	20.12
3	A'	3090	2922	61.29
4	A'	3084	2916	55.56
5	A'	3065	2898	74.76
6	A'	1770	1674	529.76
7	A'	1584	1498	19.28
8	A'	1555	1470	9.87
9	A'	1513	1431	12.41
10	A'	1483	1402	37.02
11	A'	1478	1397	40.91
12	A'	1458	1378	60.50
13	A'	1322	1250	36.28
14	A'	1128	1067	114.81
15	A'	1111	1051	4.61
16	A'	891	842	2.33
17	A'	664	628	7.45
18	A'	397	375	1.54
19	A'	323	305	11.62
20	A"	3153	2981	9.29
21	A"	3148	2976	58.08
22	A"	1541	1457	13.97
23	A"	1521	1438	3.73
24	A"	1201	1135	7.15
25	A"	1153	1090	0.04
26	A"	1032	976	0.01
27	A"	320	302	20.55
28	A"	216	204	2.54
29	A"	138	131	0.66
30	A"	3i	3i	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.698	-0.823	0.000
O2	0.206	-1.950	0.000
N3	0.000	0.347	0.000
C4	-1.455	0.341	0.000
C5	0.671	1.635	0.000
H6	1.786	-0.663	0.000
H7	-1.794	-0.691	0.000
H8	-1.834	0.852	0.889
H9	-1.834	0.852	-0.889
H10	1.749	1.483	0.000
H11	0.397	2.211	-0.888
H12	0.397	2.211	0.888

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2294	1.3621	2.4475	2.4578	1.0999	2.4955	3.1632	3.1632	2.5346	3.1752	3.1752
O2	1.2294		2.3055	2.8296	3.6143	2.0377	2.3632	3.5780	3.5780	3.7639	4.2582	4.2582
N3	1.3621	2.3055		1.4548	1.4522	2.0519	2.0723	2.0993	2.0993	2.0862	2.1024	2.1024
C4	2.4475	2.8296	1.4548		2.4879	3.3931	1.0864	1.0928	1.0928	3.4015	2.7768	2.7768
C5	2.4578	3.6143	1.4522	2.4879		2.5544	3.3885	2.7697	2.7697	1.0894	1.0930	1.0930
H6	1.0999	2.0377	2.0519	3.3931	2.5544		3.5803	4.0236	4.0236	2.1468	3.3132	3.3132
H7	2.4955	2.3632	2.0723	1.0864	3.3885	3.5803		1.7813	1.7813	4.1571	3.7424	3.7424
H8	3.1632	3.5780	2.0993	1.0928	2.7697	4.0236	1.7813		1.7770	3.7449	3.1580	2.6113
H9	3.1632	3.5780	2.0993	1.0928	2.7697	4.0236	1.7813	1.7770		3.7449	2.6113	3.1580
H10	2.5346	3.7639	2.0862	3.4015	1.0894	2.1468	4.1571	3.7449	3.7449		1.7738	1.7738
H11	3.1752	4.2582	2.1024	2.7768	1.0930	3.3132	3.7424	3.1580	2.6113	1.7738		1.7752
H12	3.1752	4.2582	2.1024	2.7768	1.0930	3.3132	3.7424	2.6113	3.1580	1.7738	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.619	C1	N3	C5	121.670
O2	C1	N3	125.583	O2	C1	H6	121.944
N3	C1	H6	112.473	N3	C4	H7	108.401
N3	C4	H8	110.173	N3	C4	H9	110.173
N3	C5	H10	109.512	N3	C5	H11	110.597
N3	C5	H12	110.597	C4	N3	C5	117.711
H7	C4	H8	109.649	H7	C4	H9	109.649
H8	C4	H9	108.786	H10	C5	H11	108.741
H10	C5	H12	108.741	H11	C5	H12	108.607

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: QCISD/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: QCISD/6-31+G**

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)