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	hartrees
Energy at 0K	-248.422203
Energy at 298.15K	-248.430507
HF Energy	-248.422203
Nuclear repulsion energy	179.615193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3061	1.94
2	A'	3045	3021	18.18
3	A'	2951	2928	61.17
4	A'	2938	2916	52.52
5	A'	2847	2826	106.39
6	A'	1724	1711	329.63
7	A'	1510	1499	7.73
8	A'	1478	1466	15.67
9	A'	1436	1425	8.64
10	A'	1403	1392	5.68
11	A'	1394	1383	1.71
12	A'	1368	1357	76.05
13	A'	1231	1221	34.26
14	A'	1063	1054	113.99
15	A'	1053	1045	2.06
16	A'	844	837	1.18
17	A'	637	632	6.52
18	A'	381	378	1.51
19	A'	313	311	11.19
20	A"	2996	2973	30.14
21	A"	2983	2960	49.55
22	A"	1475	1463	11.19
23	A"	1451	1440	3.30
24	A"	1147	1138	1.59
25	A"	1101	1093	0.08
26	A"	967	960	0.06
27	A"	329	326	13.11
28	A"	229	227	1.61
29	A"	182	181	0.21
30	A"	127	126	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.704	-0.834	0.000
O2	0.208	-1.962	0.000
N3	0.000	0.354	0.000
C4	-1.465	0.337	0.000
C5	0.673	1.650	0.000
H6	1.806	-0.654	0.000
H7	-1.785	-0.713	0.000
H8	-1.863	0.846	0.896
H9	-1.863	0.846	-0.896
H10	1.763	1.497	0.000
H11	0.404	2.241	-0.894
H12	0.404	2.241	0.894

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2324	1.3807	2.4648	2.4843	1.1170	2.4914	3.1955	3.1955	2.5600	3.2163	3.2163
O2	1.2324		2.3253	2.8431	3.6421	2.0658	2.3515	3.6018	3.6018	3.7923	4.3016	4.3016
N3	1.3807	2.3253		1.4652	1.4606	2.0682	2.0792	2.1247	2.1247	2.1008	2.1269	2.1269
C4	2.4648	2.8431	1.4652		2.5095	3.4179	1.0972	1.1042	1.1042	3.4300	2.8141	2.8141
C5	2.4843	3.6421	1.4606	2.5095		2.5671	3.4096	2.8075	2.8075	1.1003	1.1051	1.1051
H6	1.1170	2.0658	2.0682	3.4179	2.5671		3.5913	4.0635	4.0635	2.1507	3.3382	3.3382
H7	2.4914	2.3515	2.0792	1.0972	3.4096	3.5913		1.7992	1.7992	4.1793	3.7835	3.7835
H8	3.1955	3.6018	2.1247	1.1042	2.8075	4.0635	1.7992		1.7912	3.7911	3.2078	2.6620
H9	3.1955	3.6018	2.1247	1.1042	2.8075	4.0635	1.7992	1.7912		3.7911	2.6620	3.2078
H10	2.5600	3.7923	2.1008	3.4300	1.1003	2.1507	4.1793	3.7911	3.7911		1.7888	1.7888
H11	3.2163	4.3016	2.1269	2.8141	1.1051	3.3382	3.7835	3.2078	2.6620	1.7888		1.7885
H12	3.2163	4.3016	2.1269	2.8141	1.1051	3.3382	3.7835	2.6620	3.2078	1.7888	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	119.977	C1	N3	C5	121.903
O2	C1	N3	125.612	O2	C1	H6	123.037
N3	C1	H6	111.351	N3	C4	H7	107.600
N3	C4	H8	110.787	N3	C4	H9	110.787
N3	C5	H10	109.435	N3	C5	H11	111.231
N3	C5	H12	111.231	C4	N3	C5	118.119
H7	C4	H8	109.627	H7	C4	H9	109.627
H8	C4	H9	108.404	H10	C5	H11	108.409
H10	C5	H12	108.409	H11	C5	H12	108.036

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.370
2	O	-0.445
3	N	-0.323
4	C	-0.165
5	C	-0.158
6	H	0.042
7	H	0.143
8	H	0.104
9	H	0.104
10	H	0.111
11	H	0.108
12	H	0.108

	x	y	z	Total
	0.046	3.722	0.000	3.723
CHELPG
AIM
ESP

	x	y	z
x	7.000	-0.245	0.000
y	-0.245	8.297	0.000
z	0.000	0.000	4.529

<r²>	126.144
(<r²>)^1/2	11.231

All results from a given calculation for C3H7NO (dimethylformamide)

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

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)