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	hartrees
Energy at 0K	-246.125267
Energy at 298.15K	-246.133743
HF Energy	-245.609856
Nuclear repulsion energy	179.002426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3041	0.96
2	A'	3151	3009	18.00
3	A'	3069	2930	37.46
4	A'	3059	2921	39.98
5	A'	2994	2858	101.19
6	A'	1693	1616	223.19
7	A'	1627	1553	6.36
8	A'	1609	1536	15.50
9	A'	1528	1459	12.38
10	A'	1499	1432	16.29
11	A'	1471	1404	39.98
12	A'	1421	1357	52.73
13	A'	1275	1218	47.15
14	A'	1110	1060	123.97
15	A'	1106	1056	28.40
16	A'	864	825	1.24
17	A'	652	623	5.57
18	A'	381	364	1.19
19	A'	323	309	11.92
20	A"	3127	2985	29.32
21	A"	3114	2974	41.55
22	A"	1604	1532	12.48
23	A"	1580	1508	5.16
24	A"	1218	1163	3.63
25	A"	1173	1120	0.11
26	A"	1060	1012	0.06
27	A"	341	326	20.88
28	A"	224	214	3.04
29	A"	206	197	1.55
30	A"	136	130	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.722	-0.816	0.000
O2	0.229	-1.967	0.000
N3	0.000	0.360	0.000
C4	-1.476	0.299	0.000
C5	0.652	1.679	0.000
H6	1.807	-0.623	0.000
H7	-1.740	-0.760	0.000
H8	-1.883	0.787	0.893
H9	-1.883	0.787	-0.893
H10	1.738	1.539	0.000
H11	0.370	2.253	-0.891
H12	0.370	2.253	0.891

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2521	1.3804	2.4649	2.4964	1.1023	2.4630	3.1869	3.1869	2.5653	3.2156	3.2156
O2	1.2521		2.3389	2.8364	3.6709	2.0727	2.3100	3.5844	3.5844	3.8173	4.3159	4.3159
N3	1.3804	2.3389		1.4773	1.4712	2.0576	2.0701	2.1276	2.1276	2.1001	2.1247	2.1247
C4	2.4649	2.8364	1.4773		2.5363	3.4104	1.0923	1.0962	1.0962	3.4450	2.8320	2.8320
C5	2.4964	3.6709	1.4712	2.5363		2.5760	3.4170	2.8322	2.8322	1.0950	1.0969	1.0969
H6	1.1023	2.0727	2.0576	3.4104	2.5760		3.5503	4.0506	4.0506	2.1637	3.3368	3.3368
H7	2.4630	2.3100	2.0701	1.0923	3.4170	3.5503		1.7926	1.7926	4.1700	3.7856	3.7856
H8	3.1869	3.5844	2.1276	1.0962	2.8322	4.0506	1.7926		1.7864	3.8049	3.2266	2.6882
H9	3.1869	3.5844	2.1276	1.0962	2.8322	4.0506	1.7926	1.7864		3.8049	2.6882	3.2266
H10	2.5653	3.8173	2.1001	3.4450	1.0950	2.1637	4.1700	3.8049	3.8049		1.7820	1.7820
H11	3.2156	4.3159	2.1247	2.8320	1.0969	3.3368	3.7856	3.2266	2.6882	1.7820		1.7823
H12	3.2156	4.3159	2.1247	2.8320	1.0969	3.3368	3.7856	2.6882	3.2266	1.7820	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	119.166	C1	N3	C5	122.158
O2	C1	N3	125.293	O2	C1	H6	123.252
N3	C1	H6	111.455	N3	C4	H7	106.377
N3	C4	H8	110.658	N3	C4	H9	110.658
N3	C5	H10	108.965	N3	C5	H11	110.805
N3	C5	H12	110.805	C4	N3	C5	118.676
H7	C4	H8	109.993	H7	C4	H9	109.993
H8	C4	H9	109.135	H10	C5	H11	108.778
H10	C5	H12	108.778	H11	C5	H12	108.661

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)