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	hartrees
Energy at 0K	-247.748374
Energy at 298.15K	-247.756712
HF Energy	-246.988907
Nuclear repulsion energy	181.378637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3045	0.63
2	A'	3172	3003	17.41
3	A'	3069	2905	45.75
4	A'	3061	2898	42.70
5	A'	3027	2865	80.60
6	A'	1851	1752	458.44
7	A'	1592	1506	29.30
8	A'	1559	1476	13.57
9	A'	1521	1440	4.57
10	A'	1497	1417	72.22
11	A'	1483	1403	6.69
12	A'	1469	1390	64.13
13	A'	1337	1266	40.85
14	A'	1134	1073	121.72
15	A'	1114	1055	2.63
16	A'	906	858	2.93
17	A'	677	641	7.57
18	A'	403	381	1.35
19	A'	334	316	12.11
20	A"	3129	2961	17.76
21	A"	3122	2955	47.05
22	A"	1550	1467	15.26
23	A"	1528	1447	3.68
24	A"	1207	1143	3.65
25	A"	1159	1097	0.02
26	A"	1048	992	0.81
27	A"	331	313	21.87
28	A"	229	216	2.77
29	A"	163	154	0.53
30	A"	79	75	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	-0.824	0.000
O2	0.221	-1.944	0.000
N3	0.000	0.345	0.000
C4	-1.454	0.335	0.000
C5	0.654	1.636	0.000
H6	1.797	-0.652	0.000
H7	-1.780	-0.706	0.000
H8	-1.846	0.839	0.893
H9	-1.846	0.839	-0.893
H10	1.740	1.496	0.000
H11	0.378	2.218	-0.891
H12	0.378	2.218	0.891

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2185	1.3632	2.4477	2.4608	1.1085	2.4847	3.1710	3.1710	2.5416	3.1861	3.1861
O2	1.2185		2.2992	2.8284	3.6063	2.0371	2.3535	3.5800	3.5800	3.7600	4.2588	4.2588
N3	1.3632	2.2992		1.4543	1.4479	2.0550	2.0671	2.1098	2.1098	2.0860	2.1084	2.1084
C4	2.4477	2.8284	1.4543		2.4779	3.3978	1.0905	1.0980	1.0980	3.3983	2.7744	2.7744
C5	2.4608	3.6063	1.4479	2.4779		2.5581	3.3783	2.7726	2.7726	1.0943	1.0992	1.0992
H6	1.1085	2.0371	2.0550	3.3978	2.5581		3.5775	4.0367	4.0367	2.1492	3.3234	3.3234
H7	2.4847	2.3535	2.0671	1.0905	3.3783	3.5775		1.7856	1.7856	4.1517	3.7417	3.7417
H8	3.1710	3.5800	2.1098	1.0980	2.7726	4.0367	1.7856		1.7866	3.7535	3.1677	2.6173
H9	3.1710	3.5800	2.1098	1.0980	2.7726	4.0367	1.7856	1.7866		3.7535	2.6173	3.1677
H10	2.5416	3.7600	2.0860	3.3983	1.0943	2.1492	4.1517	3.7535	3.7535		1.7799	1.7799
H11	3.1861	4.2588	2.1084	2.7744	1.0992	3.3234	3.7417	3.1677	2.6173	1.7799		1.7820
H12	3.1861	4.2588	2.1084	2.7744	1.0992	3.3234	3.7417	2.6173	3.1677	1.7799	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.590	C1	N3	C5	122.156
O2	C1	N3	125.803	O2	C1	H6	122.121
N3	C1	H6	112.076	N3	C4	H7	107.779
N3	C4	H8	110.729	N3	C4	H9	110.729
N3	C5	H10	109.497	N3	C5	H11	111.002
N3	C5	H12	111.002	C4	N3	C5	117.254
H7	C4	H8	109.346	H7	C4	H9	109.346
H8	C4	H9	108.887	H10	C5	H11	108.475
H10	C5	H12	108.475	H11	C5	H12	108.315

All results from a given calculation for C₃H₇NO (dimethylformamide)

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

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)