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	hartrees
Energy at 0K	-246.154290
Energy at 298.15K	-246.162720
HF Energy	-245.609814
Nuclear repulsion energy	178.937747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	3009	1.51
2	A'	3086	2966	20.90
3	A'	3011	2894	40.84
4	A'	3002	2886	39.11
5	A'	2952	2838	92.54
6	A'	1694	1628	249.34
7	A'	1605	1543	5.05
8	A'	1585	1523	15.31
9	A'	1512	1453	10.40
10	A'	1485	1427	13.50
11	A'	1455	1398	32.63
12	A'	1417	1362	80.02
13	A'	1272	1222	48.73
14	A'	1102	1059	146.85
15	A'	1098	1055	7.06
16	A'	863	829	2.07
17	A'	652	627	6.37
18	A'	382	367	1.23
19	A'	324	312	12.55
20	A"	3057	2938	34.05
21	A"	3048	2929	42.61
22	A"	1581	1520	11.90
23	A"	1558	1497	4.66
24	A"	1204	1157	4.25
25	A"	1159	1114	0.04
26	A"	1056	1015	0.61
27	A"	335	322	24.89
28	A"	220	212	3.14
29	A"	199	192	0.87
30	A"	133	128	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.723	-0.817	0.000
O2	0.233	-1.964	0.000
N3	0.000	0.357	0.000
C4	-1.478	0.299	0.000
C5	0.650	1.679	0.000
H6	1.812	-0.627	0.000
H7	-1.750	-0.763	0.000
H8	-1.885	0.791	0.896
H9	-1.885	0.791	-0.896
H10	1.741	1.543	0.000
H11	0.365	2.255	-0.895
H12	0.365	2.255	0.895

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2474	1.3790	2.4675	2.4973	1.1055	2.4734	3.1923	3.1923	2.5704	3.2195	3.2195
O2	1.2474		2.3328	2.8363	3.6671	2.0695	2.3178	3.5884	3.5884	3.8178	4.3147	4.3147
N3	1.3790	2.3328		1.4790	1.4734	2.0619	2.0776	2.1319	2.1319	2.1068	2.1296	2.1296
C4	2.4675	2.8363	1.4790		2.5370	3.4175	1.0957	1.1008	1.1008	3.4513	2.8329	2.8329
C5	2.4973	3.6671	1.4734	2.5370		2.5820	3.4242	2.8322	2.8322	1.0992	1.1013	1.1013
H6	1.1055	2.0695	2.0619	3.4175	2.5820		3.5644	4.0597	4.0597	2.1710	3.3461	3.3461
H7	2.4734	2.3178	2.0776	1.0957	3.4242	3.5644		1.7989	1.7989	4.1839	3.7923	3.7923
H8	3.1923	3.5884	2.1319	1.1008	2.8322	4.0597	1.7989		1.7929	3.8104	3.2274	2.6848
H9	3.1923	3.5884	2.1319	1.1008	2.8322	4.0597	1.7989	1.7929		3.8104	2.6848	3.2274
H10	2.5704	3.8178	2.1068	3.4513	1.0992	2.1710	4.1839	3.8104	3.8104		1.7888	1.7888
H11	3.2195	4.3147	2.1296	2.8329	1.1013	3.3461	3.7923	3.2274	2.6848	1.7888		1.7891
H12	3.2195	4.3147	2.1296	2.8329	1.1013	3.3461	3.7923	2.6848	3.2274	1.7888	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	119.351	C1	N3	C5	122.177
O2	C1	N3	125.222	O2	C1	H6	123.069
N3	C1	H6	111.709	N3	C4	H7	106.643
N3	C4	H8	110.598	N3	C4	H9	110.598
N3	C5	H10	109.086	N3	C5	H11	110.778
N3	C5	H12	110.778	C4	N3	C5	118.472
H7	C4	H8	109.965	H7	C4	H9	109.965
H8	C4	H9	109.052	H10	C5	H11	108.756
H10	C5	H12	108.756	H11	C5	H12	108.637

All results from a given calculation for C₃H₇NO (dimethylformamide)

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

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)