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	hartrees
Energy at 0K	-248.312863
Energy at 298.15K	-248.305567
HF Energy	-246.991003
Nuclear repulsion energy	182.996842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3362	3168	2.47
2	A'	3301	3110	36.26
3	A'	3215	3029	58.66
4	A'	3202	3017	113.26
5	A'	3197	3012	23.66
6	A'	1962	1848	577.27
7	A'	1687	1590	31.03
8	A'	1656	1560	9.09
9	A'	1627	1533	14.00
10	A'	1593	1501	44.18
11	A'	1587	1496	13.33
12	A'	1557	1467	131.54
13	A'	1405	1324	62.17
14	A'	1200	1130	139.85
15	A'	1186	1117	10.77
16	A'	942	887	4.74
17	A'	712	671	10.59
18	A'	426	402	1.72
19	A'	351	331	14.11
20	A"	3250	3063	71.13
21	A"	3250	3062	31.78
22	A"	1648	1553	13.57
23	A"	1627	1533	2.30
24	A"	1288	1214	6.59
25	A"	1239	1168	0.06
26	A"	1165	1098	5.88
27	A"	346	326	32.26
28	A"	243	229	1.60
29	A"	162	152	0.28
30	A"	83	78	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	-0.822	0.000
O2	0.220	-1.948	0.000
N3	0.000	0.348	0.000
C4	-1.450	0.335	0.000
C5	0.651	1.637	0.000
H6	1.795	-0.641	0.000
H7	-1.767	-0.707	0.000
H8	-1.842	0.836	0.892
H9	-1.842	0.836	-0.892
H10	1.733	1.495	0.000
H11	0.374	2.216	-0.889
H12	0.374	2.216	0.889

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2248	1.3646	2.4433	2.4602	1.1081	2.4717	3.1645	3.1645	2.5360	3.1831	3.1831
O2	1.2248		2.3071	2.8290	3.6115	2.0467	2.3435	3.5777	3.5777	3.7608	4.2616	4.2616
N3	1.3646	2.3071		1.4502	1.4441	2.0495	2.0580	2.1034	2.1034	2.0779	2.1027	2.1027
C4	2.4433	2.8290	1.4502		2.4717	3.3887	1.0886	1.0952	1.0952	3.3877	2.7675	2.7675
C5	2.4602	3.6115	1.4441	2.4717		2.5498	3.3674	2.7653	2.7653	1.0917	1.0964	1.0964
H6	1.1081	2.0467	2.0495	3.3887	2.5498		3.5628	4.0251	4.0251	2.1368	3.3129	3.3129
H7	2.4717	2.3435	2.0580	1.0886	3.3674	3.5628		1.7834	1.7834	4.1347	3.7309	3.7309
H8	3.1645	3.5777	2.1034	1.0952	2.7653	4.0251	1.7834		1.7830	3.7423	3.1599	2.6104
H9	3.1645	3.5777	2.1034	1.0952	2.7653	4.0251	1.7834	1.7830		3.7423	2.6104	3.1599
H10	2.5360	3.7608	2.0779	3.3877	1.0917	2.1368	4.1347	3.7423	3.7423		1.7769	1.7769
H11	3.1831	4.2616	2.1027	2.7675	1.0964	3.3129	3.7309	3.1599	2.6104	1.7769		1.7781
H12	3.1831	4.2616	2.1027	2.7675	1.0964	3.3129	3.7309	2.6104	3.1599	1.7769	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.605	C1	N3	C5	121.977
O2	C1	N3	125.898	O2	C1	H6	121.538
N3	C1	H6	112.564	N3	C4	H7	108.967
N3	C4	H8	110.457	N3	C4	H9	110.457
N3	C5	H10	110.171	N3	C5	H11	110.880
N3	C5	H12	110.880	C4	N3	C5	117.418
H7	C4	H8	109.272	H7	C4	H9	109.272
H8	C4	H9	108.394	H10	C5	H11	108.289
H10	C5	H12	108.289	H11	C5	H12	108.241

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)