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	hartrees
Energy at 0K	-247.847383
Energy at 298.15K	-247.855678
HF Energy	-247.021585
Nuclear repulsion energy	180.655459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3104	0.32
2	A'	3177	3079	13.16
3	A'	3057	2963	51.22
4	A'	3050	2956	57.05
5	A'	3022	2928	73.73
6	A'	1732	1679	505.85
7	A'	1540	1493	22.04
8	A'	1500	1454	11.02
9	A'	1453	1408	5.05
10	A'	1437	1393	77.21
11	A'	1424	1380	9.14
12	A'	1410	1367	19.10
13	A'	1300	1260	28.06
14	A'	1104	1070	104.42
15	A'	1080	1047	3.19
16	A'	882	855	1.74
17	A'	655	635	6.58
18	A'	389	377	1.40
19	A'	316	306	11.05
20	A"	3133	3037	12.18
21	A"	3122	3026	41.24
22	A"	1493	1447	14.93
23	A"	1471	1426	3.45
24	A"	1173	1137	3.90
25	A"	1129	1094	0.12
26	A"	1003	972	0.50
27	A"	332	322	15.66
28	A"	228	221	1.59
29	A"	159	154	0.34
30	A"	83	80	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	-0.823	0.000
O2	0.208	-1.954	0.000
N3	0.000	0.349	0.000
C4	-1.454	0.338	0.000
C5	0.665	1.638	0.000
H6	1.799	-0.653	0.000
H7	-1.789	-0.706	0.000
H8	-1.839	0.851	0.896
H9	-1.839	0.851	-0.896
H10	1.753	1.489	0.000
H11	0.388	2.220	-0.894
H12	0.388	2.220	0.894

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2333	1.3662	2.4481	2.4616	1.1103	2.4932	3.1720	3.1720	2.5405	3.1872	3.1872
O2	1.2333		2.3118	2.8303	3.6205	2.0547	2.3544	3.5858	3.5858	3.7738	4.2718	4.2718
N3	1.3662	2.3118		1.4537	1.4505	2.0591	2.0767	2.1066	2.1066	2.0915	2.1095	2.1095
C4	2.4481	2.8303	1.4537		2.4858	3.4000	1.0961	1.1019	1.1019	3.4073	2.7807	2.7807
C5	2.4616	3.6205	1.4505	2.4858		2.5564	3.3934	2.7738	2.7738	1.0984	1.1024	1.1024
H6	1.1103	2.0547	2.0591	3.4000	2.5564		3.5880	4.0375	4.0375	2.1430	3.3234	3.3234
H7	2.4932	2.3544	2.0767	1.0961	3.3934	3.5880		1.7967	1.7967	4.1671	3.7545	3.7545
H8	3.1720	3.5858	2.1066	1.1019	2.7738	4.0375	1.7967		1.7912	3.7573	3.1683	2.6142
H9	3.1720	3.5858	2.1066	1.1019	2.7738	4.0375	1.7967	1.7912		3.7573	2.6142	3.1683
H10	2.5405	3.7738	2.0915	3.4073	1.0984	2.1430	4.1671	3.7573	3.7573		1.7883	1.7883
H11	3.1872	4.2718	2.1095	2.7807	1.1024	3.3234	3.7545	3.1683	2.6142	1.7883		1.7889
H12	3.1872	4.2718	2.1095	2.7807	1.1024	3.3234	3.7545	2.6142	3.1683	1.7883	1.7889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.457	C1	N3	C5	121.815
O2	C1	N3	125.503	O2	C1	H6	122.412
N3	C1	H6	112.086	N3	C4	H7	108.247
N3	C4	H8	110.276	N3	C4	H9	110.276
N3	C5	H10	109.505	N3	C5	H11	110.710
N3	C5	H12	110.710	C4	N3	C5	117.728
H7	C4	H8	109.648	H7	C4	H9	109.648
H8	C4	H9	108.735	H10	C5	H11	108.700
H10	C5	H12	108.700	H11	C5	H12	108.463

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2=FULL/aug-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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)