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	hartrees
Energy at 0K	-247.792568
Energy at 298.15K	-247.800939
HF Energy	-247.008062
Nuclear repulsion energy	180.984110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3068	0.28
2	A'	3197	3038	13.66
3	A'	3073	2920	52.92
4	A'	3063	2912	55.41
5	A'	3004	2855	102.83
6	A'	1808	1719	403.90
7	A'	1551	1474	27.30
8	A'	1508	1434	18.20
9	A'	1463	1390	6.28
10	A'	1451	1379	71.81
11	A'	1430	1359	37.50
12	A'	1426	1355	4.49
13	A'	1325	1259	31.95
14	A'	1109	1054	105.53
15	A'	1085	1032	3.49
16	A'	896	851	2.22
17	A'	664	631	6.06
18	A'	387	368	1.19
19	A'	322	306	10.61
20	A"	3153	2997	17.96
21	A"	3140	2984	47.26
22	A"	1502	1427	13.68
23	A"	1477	1404	4.22
24	A"	1181	1123	3.09
25	A"	1133	1077	0.08
26	A"	1023	973	0.01
27	A"	334	318	13.34
28	A"	231	219	2.31
29	A"	177	168	0.41
30	A"	99	94	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.696	-0.828	0.000
O2	0.204	-1.948	0.000
N3	0.000	0.352	0.000
C4	-1.449	0.338	0.000
C5	0.667	1.633	0.000
H6	1.797	-0.645	0.000
H7	-1.774	-0.710	0.000
H8	-1.845	0.847	0.896
H9	-1.845	0.847	-0.896
H10	1.756	1.479	0.000
H11	0.398	2.223	-0.894
H12	0.398	2.223	0.894

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2232	1.3700	2.4422	2.4615	1.1157	2.4729	3.1728	3.1728	2.5393	3.1932	3.1932
O2	1.2232		2.3084	2.8210	3.6108	2.0582	2.3327	3.5789	3.5789	3.7624	4.2696	4.2696
N3	1.3700	2.3084		1.4494	1.4448	2.0546	2.0674	2.1100	2.1100	2.0872	2.1116	2.1116
C4	2.4422	2.8210	1.4494		2.4812	3.3917	1.0976	1.1036	1.1036	3.4027	2.7862	2.7862
C5	2.4615	3.6108	1.4448	2.4812		2.5425	3.3838	2.7808	2.7808	1.1000	1.1043	1.1043
H6	1.1157	2.0582	2.0546	3.3917	2.5425		3.5713	4.0361	4.0361	2.1243	3.3133	3.3133
H7	2.4729	2.3327	2.0674	1.0976	3.3838	3.5713		1.7978	1.7978	4.1541	3.7575	3.7575
H8	3.1728	3.5789	2.1100	1.1036	2.7808	4.0361	1.7978		1.7920	3.7647	3.1826	2.6314
H9	3.1728	3.5789	2.1100	1.1036	2.7808	4.0361	1.7978	1.7920		3.7647	2.6314	3.1826
H10	2.5393	3.7624	2.0872	3.4027	1.1000	2.1243	4.1541	3.7647	3.7647		1.7881	1.7881
H11	3.1932	4.2696	2.1116	2.7862	1.1043	3.3133	3.7575	3.1826	2.6314	1.7881		1.7882
H12	3.1932	4.2696	2.1116	2.7862	1.1043	3.3133	3.7575	2.6314	3.1826	1.7881	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.018	C1	N3	C5	121.946
O2	C1	N3	125.700	O2	C1	H6	123.220
N3	C1	H6	111.081	N3	C4	H7	107.728
N3	C4	H8	110.750	N3	C4	H9	110.750
N3	C5	H10	109.465	N3	C5	H11	111.157
N3	C5	H12	111.157	C4	N3	C5	118.036
H7	C4	H8	109.519	H7	C4	H9	109.519
H8	C4	H9	108.560	H10	C5	H11	108.428
H10	C5	H12	108.428	H11	C5	H12	108.123

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)