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	hartrees
Energy at 0K	-247.632504
Energy at 298.15K	-247.640953
HF Energy	-246.990425
Nuclear repulsion energy	182.371060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3061	0.71
2	A'	3257	3016	20.82
3	A'	3156	2922	48.01
4	A'	3148	2914	45.12
5	A'	3128	2896	80.74
6	A'	1896	1756	501.02
7	A'	1636	1515	31.25
8	A'	1603	1484	12.56
9	A'	1568	1451	7.52
10	A'	1540	1426	71.70
11	A'	1529	1415	5.53
12	A'	1511	1399	73.71
13	A'	1373	1271	46.96
14	A'	1166	1080	124.18
15	A'	1147	1062	3.92
16	A'	927	859	3.24
17	A'	694	643	8.73
18	A'	413	382	1.48
19	A'	341	316	13.07
20	A"	3213	2974	18.55
21	A"	3208	2970	53.65
22	A"	1595	1477	15.71
23	A"	1573	1457	3.33
24	A"	1244	1152	4.31
25	A"	1194	1106	0.00
26	A"	1099	1017	2.02
27	A"	342	316	25.79
28	A"	237	220	2.21
29	A"	166	153	0.36
30	A"	89	82	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	-0.817	0.000
O2	0.217	-1.929	0.000
N3	0.000	0.343	0.000
C4	-1.446	0.327	0.000
C5	0.655	1.628	0.000
H6	1.782	-0.654	0.000
H7	-1.776	-0.705	0.000
H8	-1.833	0.832	0.885
H9	-1.833	0.832	-0.885
H10	1.733	1.493	0.000
H11	0.379	2.204	-0.884
H12	0.379	2.204	0.884

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2110	1.3535	2.4287	2.4460	1.0977	2.4752	3.1468	3.1468	2.5326	3.1643	3.1643
O2	1.2110		2.2828	2.8027	3.5845	2.0187	2.3394	3.5513	3.5513	3.7435	4.2302	4.2302
N3	1.3535	2.2828		1.4458	1.4423	2.0422	2.0621	2.0933	2.0933	2.0801	2.0950	2.0950
C4	2.4287	2.8027	1.4458		2.4709	3.3736	1.0831	1.0904	1.0904	3.3861	2.7633	2.7633
C5	2.4460	3.5845	1.4423	2.4709		2.5459	3.3691	2.7576	2.7576	1.0869	1.0907	1.0907
H6	1.0977	2.0187	2.0422	3.3736	2.5459		3.5585	4.0075	4.0075	2.1483	3.3048	3.3048
H7	2.4752	2.3394	2.0621	1.0831	3.3691	3.5585		1.7745	1.7745	4.1407	3.7266	3.7266
H8	3.1468	3.5513	2.0933	1.0904	2.7576	4.0075	1.7745		1.7708	3.7331	3.1473	2.6026
H9	3.1468	3.5513	2.0933	1.0904	2.7576	4.0075	1.7745	1.7708		3.7331	2.6026	3.1473
H10	2.5326	3.7435	2.0801	3.3861	1.0869	2.1483	4.1407	3.7331	3.7331		1.7666	1.7666
H11	3.1643	4.2302	2.0950	2.7633	1.0907	3.3048	3.7266	3.1473	2.6026	1.7666		1.7686
H12	3.1643	4.2302	2.0950	2.7633	1.0907	3.3048	3.7266	2.6026	3.1473	1.7666	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.330	C1	N3	C5	122.033
O2	C1	N3	125.698	O2	C1	H6	121.870
N3	C1	H6	112.432	N3	C4	H7	108.404
N3	C4	H8	110.465	N3	C4	H9	110.465
N3	C5	H10	109.862	N3	C5	H11	110.838
N3	C5	H12	110.838	C4	N3	C5	117.637
H7	C4	H8	109.457	H7	C4	H9	109.457
H8	C4	H9	108.578	H10	C5	H11	108.441
H10	C5	H12	108.441	H11	C5	H12	108.346

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: CISD/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 C3H7NO (dimethylformamide)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)