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	hartrees
Energy at 0K	-247.773503
Energy at 298.15K	-247.781879
HF Energy	-246.999698
Nuclear repulsion energy	181.442136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3058	0.47
2	A'	3232	3027	15.52
3	A'	3115	2918	46.90
4	A'	3106	2909	48.77
5	A'	3055	2861	90.81
6	A'	1807	1692	381.06
7	A'	1596	1494	11.97
8	A'	1566	1467	14.12
9	A'	1513	1416	9.28
10	A'	1480	1386	62.18
11	A'	1475	1381	18.93
12	A'	1462	1369	38.30
13	A'	1328	1244	37.62
14	A'	1131	1059	109.87
15	A'	1113	1042	2.02
16	A'	900	843	1.93
17	A'	667	625	6.68
18	A'	396	370	1.27
19	A'	328	307	11.72
20	A"	3193	2990	17.65
21	A"	3182	2980	44.28
22	A"	1558	1459	12.64
23	A"	1534	1436	3.44
24	A"	1210	1133	4.24
25	A"	1161	1087	0.05
26	A"	1028	963	0.29
27	A"	336	315	17.48
28	A"	232	217	2.48
29	A"	170	159	0.51
30	A"	93	87	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	-0.819	0.000
O2	0.212	-1.945	0.000
N3	0.000	0.351	0.000
C4	-1.448	0.327	0.000
C5	0.656	1.639	0.000
H6	1.789	-0.643	0.000
H7	-1.763	-0.712	0.000
H8	-1.838	0.829	0.887
H9	-1.838	0.829	-0.887
H10	1.735	1.495	0.000
H11	0.381	2.215	-0.886
H12	0.381	2.215	0.886

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2282	1.3648	2.4370	2.4584	1.1017	2.4669	3.1556	3.1556	2.5348	3.1770	3.1770
O2	1.2282		2.3061	2.8143	3.6115	2.0459	2.3278	3.5619	3.5619	3.7630	4.2568	4.2568
N3	1.3648	2.3061		1.4486	1.4452	2.0471	2.0581	2.0962	2.0962	2.0784	2.0984	2.0984
C4	2.4370	2.8143	1.4486		2.4799	3.3801	1.0854	1.0912	1.0912	3.3909	2.7740	2.7740
C5	2.4584	3.6115	1.4452	2.4799		2.5475	3.3727	2.7683	2.7683	1.0880	1.0918	1.0918
H6	1.1017	2.0459	2.0471	3.3801	2.5475		3.5527	4.0143	4.0143	2.1392	3.3068	3.3068
H7	2.4669	2.3278	2.0581	1.0854	3.3727	3.5527		1.7798	1.7798	4.1356	3.7342	3.7342
H8	3.1556	3.5619	2.0962	1.0912	2.7683	4.0143	1.7798		1.7738	3.7412	3.1602	2.6162
H9	3.1556	3.5619	2.0962	1.0912	2.7683	4.0143	1.7798	1.7738		3.7412	2.6162	3.1602
H10	2.5348	3.7630	2.0784	3.3909	1.0880	2.1392	4.1356	3.7412	3.7412		1.7704	1.7704
H11	3.1770	4.2568	2.0984	2.7740	1.0918	3.3068	3.7342	3.1602	2.6162	1.7704		1.7713
H12	3.1770	4.2568	2.0984	2.7740	1.0918	3.3068	3.7342	2.6162	3.1602	1.7704	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.013	C1	N3	C5	122.035
O2	C1	N3	125.508	O2	C1	H6	122.746
N3	C1	H6	111.746	N3	C4	H7	107.764
N3	C4	H8	110.460	N3	C4	H9	110.460
N3	C5	H10	109.449	N3	C5	H11	110.839
N3	C5	H12	110.839	C4	N3	C5	117.952
H7	C4	H8	109.708	H7	C4	H9	109.708
H8	C4	H9	108.733	H10	C5	H11	108.615
H10	C5	H12	108.615	H11	C5	H12	108.422

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)