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	hartrees
Energy at 0K	-247.055759
Energy at 298.15K	-247.064268
HF Energy	-247.055759
Nuclear repulsion energy	183.093481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3011	3.21
2	A'	3259	2961	36.44
3	A'	3165	2875	59.47
4	A'	3154	2866	75.86
5	A'	3150	2861	68.41
6	A'	1937	1760	616.46
7	A'	1664	1511	45.69
8	A'	1629	1480	8.85
9	A'	1602	1456	15.58
10	A'	1573	1429	46.14
11	A'	1563	1420	4.16
12	A'	1541	1400	124.57
13	A'	1397	1270	60.73
14	A'	1187	1079	147.57
15	A'	1175	1067	9.08
16	A'	933	848	5.79
17	A'	710	645	10.15
18	A'	424	385	1.68
19	A'	350	318	13.89
20	A"	3204	2910	52.92
21	A"	3202	2909	59.46
22	A"	1622	1474	15.11
23	A"	1601	1454	3.26
24	A"	1275	1158	5.38
25	A"	1226	1114	0.01
26	A"	1163	1057	3.44
27	A"	345	313	30.24
28	A"	238	217	1.42
29	A"	154	140	0.22
30	A"	79	72	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.685	-0.824	0.000
O2	0.212	-1.917	0.000
N3	0.000	0.337	0.000
C4	-1.447	0.339	0.000
C5	0.670	1.614	0.000
H6	1.767	-0.670	0.000
H7	-1.799	-0.680	0.000
H8	-1.827	0.848	0.882
H9	-1.827	0.848	-0.882
H10	1.743	1.472	0.000
H11	0.403	2.193	-0.881
H12	0.403	2.193	0.881

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.1912	1.3481	2.4291	2.4387	1.0929	2.4880	3.1441	3.1441	2.5283	3.1554	3.1554
O2	1.1912		2.2639	2.8003	3.5612	1.9938	2.3602	3.5468	3.5468	3.7193	4.2074	4.2074
N3	1.3481	2.2639		1.4472	1.4424	2.0338	2.0662	2.0922	2.0922	2.0801	2.0933	2.0933
C4	2.4291	2.8003	1.4472		2.4713	3.3690	1.0782	1.0869	1.0869	3.3853	2.7628	2.7628
C5	2.4387	3.5612	1.4424	2.4713		2.5344	3.3700	2.7564	2.7564	1.0826	1.0869	1.0869
H6	1.0929	1.9938	2.0338	3.3690	2.5344		3.5657	4.0000	4.0000	2.1424	3.2911	3.2911
H7	2.4880	2.3602	2.0662	1.0782	3.3700	3.5657		1.7648	1.7648	4.1442	3.7248	3.7248
H8	3.1441	3.5468	2.0922	1.0869	2.7564	4.0000	1.7648		1.7641	3.7297	3.1443	2.6036
H9	3.1441	3.5468	2.0922	1.0869	2.7564	4.0000	1.7648	1.7641		3.7297	2.6036	3.1443
H10	2.5283	3.7193	2.0801	3.3853	1.0826	2.1424	4.1442	3.7297	3.7297		1.7580	1.7580
H11	3.1554	4.2074	2.0933	2.7628	1.0869	3.2911	3.7248	3.1443	2.6036	1.7580		1.7617
H12	3.1554	4.2074	2.0933	2.7628	1.0869	3.2911	3.7248	2.6036	3.1443	1.7580	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.637	C1	N3	C5	121.797
O2	C1	N3	126.021	O2	C1	H6	121.545
N3	C1	H6	112.433	N3	C4	H7	108.932
N3	C4	H8	110.494	N3	C4	H9	110.494
N3	C5	H10	110.111	N3	C5	H11	110.924
N3	C5	H12	110.924	C4	N3	C5	117.567
H7	C4	H8	109.201	H7	C4	H9	109.201
H8	C4	H9	108.493	H10	C5	H11	108.255
H10	C5	H12	108.255	H11	C5	H12	108.280

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: HF/6-311G**

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	0.447
2	O	-0.480
3	N	-0.510
4	C	-0.080
5	C	-0.054
6	H	0.058
7	H	0.140
8	H	0.094
9	H	0.094
10	H	0.092
11	H	0.099
12	H	0.099

	x	y	z	Total
	0.437	4.094	0.000	4.117
CHELPG
AIM
ESP

	x	y	z
x	6.261	-0.084	0.000
y	-0.084	7.310	0.000
z	0.000	0.000	4.561

<r²>	122.588
(<r²>)^1/2	11.072

All results from a given calculation for C3H7NO (dimethylformamide)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)