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	hartrees
Energy at 0K	-246.116567
Energy at 298.15K	-246.125039
HF Energy	-245.609795
Nuclear repulsion energy	178.970503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3040	0.98
2	A'	3151	3007	18.10
3	A'	3068	2929	37.52
4	A'	3059	2920	40.02
5	A'	2993	2857	101.36
6	A'	1692	1615	223.00
7	A'	1627	1553	6.44
8	A'	1609	1535	15.48
9	A'	1527	1458	12.41
10	A'	1499	1431	16.20
11	A'	1470	1403	39.85
12	A'	1421	1356	52.82
13	A'	1274	1216	47.28
14	A'	1109	1059	122.71
15	A'	1106	1056	29.83
16	A'	864	824	1.24
17	A'	652	622	5.59
18	A'	381	363	1.19
19	A'	323	308	11.92
20	A"	3126	2984	29.45
21	A"	3114	2972	41.66
22	A"	1604	1531	12.42
23	A"	1580	1508	5.13
24	A"	1217	1162	3.64
25	A"	1173	1119	0.11
26	A"	1060	1012	0.07
27	A"	341	325	20.85
28	A"	223	213	3.03
29	A"	206	197	1.60
30	A"	136	130	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.722	-0.816	0.000
O2	0.229	-1.967	0.000
N3	0.000	0.361	0.000
C4	-1.476	0.300	0.000
C5	0.652	1.680	0.000
H6	1.807	-0.623	0.000
H7	-1.741	-0.760	0.000
H8	-1.884	0.788	0.893
H9	-1.884	0.788	-0.893
H10	1.738	1.539	0.000
H11	0.370	2.254	-0.891
H12	0.370	2.254	0.891

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2522	1.3807	2.4655	2.4969	1.1024	2.4635	3.1874	3.1874	2.5656	3.2161	3.2161
O2	1.2522		2.3392	2.8370	3.6715	2.0730	2.3105	3.5850	3.5850	3.8177	4.3165	4.3165
N3	1.3807	2.3392		1.4777	1.4716	2.0578	2.0704	2.1280	2.1280	2.1004	2.1250	2.1250
C4	2.4655	2.8370	1.4777		2.5370	3.4110	1.0924	1.0964	1.0964	3.4457	2.8326	2.8326
C5	2.4969	3.6715	1.4716	2.5370		2.5763	3.4177	2.8328	2.8328	1.0951	1.0971	1.0971
H6	1.1024	2.0730	2.0578	3.4110	2.5763		3.5509	4.0512	4.0512	2.1636	3.3371	3.3371
H7	2.4635	2.3105	2.0704	1.0924	3.4177	3.5509		1.7929	1.7929	4.1706	3.7863	3.7863
H8	3.1874	3.5850	2.1280	1.0964	2.8328	4.0512	1.7929		1.7868	3.8056	3.2272	2.6888
H9	3.1874	3.5850	2.1280	1.0964	2.8328	4.0512	1.7929	1.7868		3.8056	2.6888	3.2272
H10	2.5656	3.8177	2.1004	3.4457	1.0951	2.1636	4.1706	3.8056	3.8056		1.7823	1.7823
H11	3.2161	4.3165	2.1250	2.8326	1.0971	3.3371	3.7863	3.2272	2.6888	1.7823		1.7826
H12	3.2161	4.3165	2.1250	2.8326	1.0971	3.3371	3.7863	2.6888	3.2272	1.7823	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	119.168	C1	N3	C5	122.155
O2	C1	N3	125.294	O2	C1	H6	123.263
N3	C1	H6	111.444	N3	C4	H7	106.368
N3	C4	H8	110.650	N3	C4	H9	110.650
N3	C5	H10	108.954	N3	C5	H11	110.799
N3	C5	H12	110.799	C4	N3	C5	118.678
H7	C4	H8	110.000	H7	C4	H9	110.000
H8	C4	H9	109.146	H10	C5	H11	108.785
H10	C5	H12	108.785	H11	C5	H12	108.672

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)