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	hartrees
Energy at 0K	-301.789881
Energy at 298.15K
HF Energy	-301.582755
Nuclear repulsion energy	246.314257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3605	3605	20.09
2	A	3178	3178	0.49
3	A	3107	3107	0.00
4	A	3061	3061	1.42
5	A	1719	1719	111.34
6	A	1607	1607	31.70
7	A	1597	1597	0.00
8	A	1530	1530	12.89
9	A	1480	1480	62.30
10	A	1205	1205	7.30
11	A	1182	1182	0.00
12	A	1173	1173	3.48
13	A	920	920	5.83
14	A	507	507	1.62
15	A	271	271	0.00
16	A	244	244	0.84
17	A	178	178	0.00
18	A	123	123	0.00
19	B	3597	3597	6.40
20	B	3177	3177	0.00
21	B	3108	3108	97.21
22	B	3059	3059	137.31
23	B	1617	1617	56.52
24	B	1598	1598	14.62
25	B	1551	1551	322.08
26	B	1493	1493	7.51
27	B	1257	1257	355.06
28	B	1189	1189	2.38
29	B	1181	1181	63.13
30	B	1034	1034	3.88
31	B	768	768	36.95
32	B	711	711	9.55
33	B	511	511	309.34
34	B	381	381	37.92
35	B	162	162	2.97
36	B	113	113	13.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.087
O2	0.000	0.000	1.338
N3	0.000	1.163	-0.664
N4	0.000	-1.163	-0.664
C5	0.000	2.463	0.015
C6	-0.000	-2.463	0.015
H7	0.001	1.130	-1.674
H8	-0.001	-1.130	-1.674
H9	0.893	3.047	-0.232
H10	-0.893	-3.047	-0.232
H11	-0.001	2.238	1.082
H12	0.001	-2.238	1.082
H13	-0.890	3.049	-0.234
H14	0.890	-3.049	-0.234

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2515	1.3844	1.3844	2.4644	2.4644	2.0925	2.0925	3.1911	3.1911	2.4489	2.4489	3.1920	3.1920
O2	1.2515		2.3155	2.3155	2.7962	2.7962	3.2175	3.2175	3.5421	3.5421	2.2524	2.2524	3.5436	3.5436
N3	1.3844	2.3155		2.3263	1.4669	3.6896	1.0107	2.5062	2.1292	4.3255	2.0499	3.8227	2.1290	4.3262
N4	1.3844	2.3155	2.3263		3.6896	1.4669	2.5062	1.0107	4.3255	2.1292	3.8227	2.0499	4.3262	2.1290
C5	2.4644	2.7962	1.4669	3.6896		4.9267	2.1518	3.9711	1.0945	5.5879	1.0901	4.8206	1.0945	5.5888
C6	2.4644	2.7962	3.6896	1.4669	4.9267		3.9711	2.1518	5.5879	1.0945	4.8206	1.0901	5.5888	1.0945
H7	2.0925	3.2175	1.0107	2.5062	2.1518	3.9711		2.2609	2.5593	4.5090	2.9700	4.3519	2.5590	4.5089
H8	2.0925	3.2175	2.5062	1.0107	3.9711	2.1518	2.2609		4.5090	2.5593	4.3519	2.9700	4.5089	2.5590
H9	3.1911	3.5421	2.1292	4.3255	1.0945	5.5879	2.5593	4.5090		6.3504	1.7829	5.5182	1.7832	6.0957
H10	3.1911	3.5421	4.3255	2.1292	5.5879	1.0945	4.5090	2.5593	6.3504		5.5182	1.7829	6.0957	1.7832
H11	2.4489	2.2524	2.0499	3.8227	1.0901	4.8206	2.9700	4.3519	1.7829	5.5182		4.4755	1.7829	5.5199
H12	2.4489	2.2524	3.8227	2.0499	4.8206	1.0901	4.3519	2.9700	5.5182	1.7829	4.4755		5.5199	1.7829
H13	3.1920	3.5436	2.1290	4.3262	1.0945	5.5888	2.5590	4.5089	1.7832	6.0957	1.7829	5.5199		6.3518
H14	3.1920	3.5436	4.3262	2.1290	5.5888	1.0945	4.5089	2.5590	6.0957	1.7832	5.5199	1.7829	6.3518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.585	C1	N3	H7	120.984
C1	N4	C6	119.585	C1	N4	H8	120.984
O2	C1	N3	122.837	O2	C1	N4	122.837
N3	C1	N4	114.325	N3	C5	H9	111.629
N3	C5	H11	105.632	N3	C5	H13	111.616
N4	C6	H10	111.629	N4	C6	H12	105.632
N4	C6	H14	111.616	C5	N3	H7	119.431
C6	N4	H8	119.431	H9	C5	H11	109.390
H9	C5	H13	109.096	H10	C6	H12	109.390
H10	C6	H14	109.096	H11	C5	H13	109.398
H12	C6	H14	109.398

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

using model chemistry: B2PLYP=FULLultrafine/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 NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)