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	hartrees
Energy at 0K	-246.070521
Energy at 298.15K	-246.079064
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	3010	0.94
2	A'	3188	2967	21.27
3	A'	3111	2895	37.91
4	A'	3102	2887	33.20
5	A'	3068	2855	88.73
6	A'	1795	1670	338.30
7	A'	1650	1536	9.38
8	A'	1628	1515	15.10
9	A'	1564	1456	7.62
10	A'	1534	1428	11.42
11	A'	1512	1407	13.71
12	A'	1477	1374	119.91
13	A'	1320	1228	55.18
14	A'	1145	1066	155.56
15	A'	1134	1056	6.70
16	A'	896	833	2.90
17	A'	680	633	7.34
18	A'	397	369	1.40
19	A'	334	311	13.41
20	A"	3157	2937	34.28
21	A"	3150	2931	41.72
22	A"	1624	1511	14.71
23	A"	1601	1490	4.91
24	A"	1243	1156	4.55
25	A"	1196	1112	0.01
26	A"	1113	1036	1.61
27	A"	348	324	31.23
28	A"	230	214	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)