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	hartrees
Energy at 0K	-246.074678
Energy at 298.15K	-246.083222
HF Energy	-245.612904
Nuclear repulsion energy	180.334885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3019	0.96
2	A'	3184	2975	21.55
3	A'	3107	2904	38.93
4	A'	3098	2895	33.41
5	A'	3063	2862	89.63
6	A'	1783	1666	329.33
7	A'	1649	1541	8.60
8	A'	1627	1520	15.09
9	A'	1562	1460	8.38
10	A'	1532	1432	11.83
11	A'	1508	1409	17.46
12	A'	1473	1376	113.48
13	A'	1316	1230	55.21
14	A'	1143	1068	154.06
15	A'	1133	1058	7.35
16	A'	893	835	2.66
17	A'	678	633	7.46
18	A'	396	370	1.41
19	A'	334	312	13.49
20	A"	3153	2946	34.88
21	A"	3146	2939	41.80
22	A"	1623	1516	14.51
23	A"	1600	1495	4.86
24	A"	1242	1160	4.55
25	A"	1194	1116	0.01
26	A"	1111	1038	1.60
27	A"	349	326	31.06
28	A"	230	215	2.82
29	A"	196	183	0.45
30	A"	137	128	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.717	-0.812	0.000
O2	0.235	-1.948	0.000
N3	0.000	0.351	0.000
C4	-1.469	0.299	0.000
C5	0.646	1.665	0.000
H6	1.798	-0.628	0.000
H7	-1.752	-0.751	0.000
H8	-1.870	0.791	0.890
H9	-1.870	0.791	-0.890
H10	1.730	1.536	0.000
H11	0.362	2.237	-0.888
H12	0.362	2.237	0.888

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2331	1.3666	2.4516	2.4783	1.0966	2.4690	3.1708	3.1708	2.5573	3.1954	3.1954
O2	1.2331		2.3107	2.8193	3.6357	2.0452	2.3189	3.5669	3.5669	3.7905	4.2791	4.2791
N3	1.3666	2.3107		1.4694	1.4639	2.0471	2.0696	2.1172	2.1172	2.0963	2.1151	2.1151
C4	2.4516	2.8193	1.4694		2.5171	3.3952	1.0877	1.0932	1.0932	3.4288	2.8092	2.8092
C5	2.4783	3.6357	1.4639	2.5171		2.5661	3.4036	2.8079	2.8079	1.0914	1.0936	1.0936
H6	1.0966	2.0452	2.0471	3.3952	2.5661		3.5514	4.0322	4.0322	2.1651	3.3253	3.3253
H7	2.4690	2.3189	2.0696	1.0877	3.4036	3.5514		1.7845	1.7845	4.1651	3.7657	3.7657
H8	3.1708	3.5669	2.1172	1.0932	2.8079	4.0322	1.7845		1.7795	3.7819	3.1983	2.6588
H9	3.1708	3.5669	2.1172	1.0932	2.8079	4.0322	1.7845	1.7795		3.7819	2.6588	3.1983
H10	2.5573	3.7905	2.0963	3.4288	1.0914	2.1651	4.1651	3.7819	3.7819		1.7750	1.7750
H11	3.1954	4.2791	2.1151	2.8092	1.0936	3.3253	3.7657	3.1983	2.6588	1.7750		1.7758
H12	3.1954	4.2791	2.1151	2.8092	1.0936	3.3253	3.7657	2.6588	3.1983	1.7750	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	119.596	C1	N3	C5	122.194
O2	C1	N3	125.374	O2	C1	H6	122.669
N3	C1	H6	111.958	N3	C4	H7	107.118
N3	C4	H8	110.555	N3	C4	H9	110.555
N3	C5	H10	109.383	N3	C5	H11	110.761
N3	C5	H12	110.761	C4	N3	C5	118.210
H7	C4	H8	109.820	H7	C4	H9	109.820
H8	C4	H9	108.957	H10	C5	H11	108.657
H10	C5	H12	108.657	H11	C5	H12	108.567

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)