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	hartrees
Energy at 0K	-246.070521
Energy at 298.15K	-246.079076
HF Energy	-245.613075
Nuclear repulsion energy	180.449043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3014	0.94
2	A'	3188	2970	21.27
3	A'	3111	2898	37.91
4	A'	3102	2890	33.20
5	A'	3068	2859	88.73
6	A'	1795	1672	338.30
7	A'	1650	1538	9.38
8	A'	1628	1517	15.10
9	A'	1564	1457	7.62
10	A'	1534	1429	11.42
11	A'	1512	1408	13.71
12	A'	1477	1376	119.91
13	A'	1320	1230	55.18
14	A'	1145	1067	155.56
15	A'	1134	1057	6.70
16	A'	896	834	2.90
17	A'	680	634	7.34
18	A'	397	370	1.40
19	A'	334	312	13.41
20	A"	3157	2941	34.28
21	A"	3150	2934	41.72
22	A"	1624	1512	14.71
23	A"	1601	1492	4.91
24	A"	1243	1158	4.55
25	A"	1196	1114	0.01
26	A"	1113	1037	1.61
27	A"	348	324	31.23
28	A"	230	215	2.84
29	A"	194	181	0.48
30	A"	135	126	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.715	-0.813	0.000
O2	0.234	-1.946	0.000
N3	0.000	0.350	0.000
C4	-1.468	0.301	0.000
C5	0.647	1.663	0.000
H6	1.796	-0.630	0.000
H7	-1.754	-0.748	0.000
H8	-1.868	0.794	0.890
H9	-1.868	0.794	-0.890
H10	1.730	1.533	0.000
H11	0.364	2.235	-0.888
H12	0.364	2.235	0.888

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2313	1.3657	2.4507	2.4765	1.0964	2.4700	3.1699	3.1699	2.5560	3.1937	3.1937
O2	1.2313		2.3085	2.8186	3.6324	2.0428	2.3208	3.5663	3.5663	3.7872	4.2761	4.2761
N3	1.3657	2.3085		1.4685	1.4630	2.0466	2.0696	2.1164	2.1164	2.0958	2.1144	2.1144
C4	2.4507	2.8186	1.4685		2.5151	3.3942	1.0875	1.0931	1.0931	3.4271	2.8073	2.8073
C5	2.4765	3.6324	1.4630	2.5151		2.5649	3.4024	2.8059	2.8059	1.0912	1.0935	1.0935
H6	1.0964	2.0428	2.0466	3.3942	2.5649		3.5521	4.0311	4.0311	2.1641	3.3240	3.3240
H7	2.4700	2.3208	2.0696	1.0875	3.4024	3.5521		1.7839	1.7839	4.1645	3.7642	3.7642
H8	3.1699	3.5663	2.1164	1.0931	2.8059	4.0311	1.7839		1.7792	3.7801	3.1964	2.6567
H9	3.1699	3.5663	2.1164	1.0931	2.8059	4.0311	1.7839	1.7792		3.7801	2.6567	3.1964
H10	2.5560	3.7872	2.0958	3.4271	1.0912	2.1641	4.1645	3.7801	3.7801		1.7745	1.7745
H11	3.1937	4.2761	2.1144	2.8073	1.0935	3.3240	3.7642	3.1964	2.6567	1.7745		1.7755
H12	3.1937	4.2761	2.1144	2.8073	1.0935	3.3240	3.7642	2.6567	3.1964	1.7745	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	119.654	C1	N3	C5	122.172
O2	C1	N3	125.397	O2	C1	H6	122.609
N3	C1	H6	111.994	N3	C4	H7	107.189
N3	C4	H8	110.564	N3	C4	H9	110.564
N3	C5	H10	109.410	N3	C5	H11	110.773
N3	C5	H12	110.773	C4	N3	C5	118.174
H7	C4	H8	109.784	H7	C4	H9	109.784
H8	C4	H9	108.942	H10	C5	H11	108.636
H10	C5	H12	108.636	H11	C5	H12	108.555

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)