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	hartrees
Energy at 0K	-303.222620
Energy at 298.15K	-303.232924
HF Energy	-302.144765
Nuclear repulsion energy	247.700166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3603	3469
2	A	3176	3058
3	A	3131	3014
4	A	3046	2933
5	A	1752	1687
6	A	1538	1481
7	A	1509	1453
8	A	1485	1430
9	A	1476	1421
10	A	1212	1167
11	A	1182	1139
12	A	1151	1108
13	A	923	889
14	A	601	579
15	A	465	448
16	A	226	218
17	A	200	192
18	A	125	120
19	B	3601	3467
20	B	3176	3058
21	B	3131	3015
22	B	3045	2932
23	B	1558	1500
24	B	1523	1466
25	B	1502	1446
26	B	1480	1425
27	B	1265	1218
28	B	1172	1129
29	B	1159	1116
30	B	1042	1004
31	B	762	733
32	B	737	710
33	B	530	511
34	B	324	312
35	B	146	141
36	B	120	115

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.094
O2	0.000	0.000	1.320
N3	0.000	1.163	-0.674
N4	0.000	-1.163	-0.674
C5	-0.309	2.411	0.021
C6	0.309	-2.411	0.021
H7	-0.464	1.058	-1.566
H8	0.464	-1.058	-1.566
H9	-0.160	3.239	-0.674
H10	0.160	-3.239	-0.674
H11	0.372	2.523	0.863
H12	-0.372	-2.523	0.863
H13	-1.335	2.436	0.404
H14	1.335	-2.436	0.404

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2267	1.3932	1.3932	2.4319	2.4319	2.0226	2.0226	3.3323	3.3323	2.6638	2.6638	2.7954	2.7954
O2	1.2267		2.3084	2.3084	2.7562	2.7562	3.1094	3.1094	3.8067	3.8067	2.5911	2.5911	2.9252	2.9252
N3	1.3932	2.3084		2.3256	1.4617	3.6538	1.0116	2.4381	2.0822	4.4045	2.0856	4.0106	2.1371	3.9872
N4	1.3932	2.3084	2.3256		3.6538	1.4617	2.4381	1.0116	4.4045	2.0822	4.0106	2.0856	3.9872	2.1371
C5	2.4319	2.7562	1.4617	3.6538		4.8615	2.0916	3.8927	1.0910	5.7117	1.0889	5.0057	1.0957	5.1329
C6	2.4319	2.7562	3.6538	1.4617	4.8615		3.8927	2.0916	5.7117	1.0910	5.0057	1.0889	5.1329	1.0957
H7	2.0226	3.1094	1.0116	2.4381	2.0916	3.8927		2.3107	2.3761	4.4328	2.9576	4.3283	2.5579	4.3968
H8	2.0226	3.1094	2.4381	1.0116	3.8927	2.0916	2.3107		4.4328	2.3761	4.3283	2.9576	4.3968	2.5579
H9	3.3323	3.8067	2.0822	4.4045	1.0910	5.7117	2.3761	4.4328		6.4856	1.7764	5.9670	1.7859	5.9667
H10	3.3323	3.8067	4.4045	2.0822	5.7117	1.0910	4.4328	2.3761	6.4856		5.9670	1.7764	5.9667	1.7859
H11	2.6638	2.5911	2.0856	4.0106	1.0889	5.0057	2.9576	4.3283	1.7764	5.9670		5.1008	1.7704	5.0725
H12	2.6638	2.5911	4.0106	2.0856	5.0057	1.0889	4.3283	2.9576	5.9670	1.7764	5.1008		5.0725	1.7704
H13	2.7954	2.9252	2.1371	3.9872	1.0957	5.1329	2.5579	4.3968	1.7859	5.9667	1.7704	5.0725		5.5562
H14	2.7954	2.9252	3.9872	2.1371	5.1329	1.0957	4.3968	2.5579	5.9667	1.7859	5.0725	1.7704	5.5562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.799	C1	N3	H7	113.559
C1	N4	C6	116.799	C1	N4	H8	113.559
O2	C1	N3	123.424	O2	C1	N4	123.424
N3	C1	N4	113.152	N3	C5	H9	108.435
N3	C5	H11	108.833	N3	C5	H13	112.585
N4	C6	H10	108.435	N4	C6	H12	108.833
N4	C6	H14	112.585	C5	N3	H7	114.258
C6	N4	H8	114.258	H9	C5	H11	109.151
H9	C5	H13	109.515	H10	C6	H12	109.151
H10	C6	H14	109.515	H11	C5	H13	108.272
H12	C6	H14	108.272

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

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

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