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	hartrees
Energy at 0K	-303.219271
Energy at 298.15K	-303.229594
HF Energy	-302.145397
Nuclear repulsion energy	247.922279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3607	3474
2	A	3167	3051
3	A	3122	3007
4	A	3040	2928
5	A	1777	1711
6	A	1538	1481
7	A	1508	1453
8	A	1489	1434
9	A	1477	1422
10	A	1215	1170
11	A	1184	1140
12	A	1155	1112
13	A	930	896
14	A	600	578
15	A	467	450
16	A	227	219
17	A	200	193
18	A	126	121
19	B	3605	3472
20	B	3167	3051
21	B	3122	3007
22	B	3040	2928
23	B	1564	1506
24	B	1523	1467
25	B	1502	1446
26	B	1481	1426
27	B	1272	1225
28	B	1173	1130
29	B	1162	1120
30	B	1044	1005
31	B	768	739
32	B	743	715
33	B	532	513
34	B	326	314
35	B	148	143
36	B	120	115

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.093
O2	0.000	0.000	1.315
N3	0.000	1.162	-0.673
N4	0.000	-1.162	-0.673
C5	-0.305	2.411	0.023
C6	0.305	-2.411	0.023
H7	-0.465	1.058	-1.564
H8	0.465	-1.058	-1.564
H9	-0.160	3.238	-0.674
H10	0.160	-3.238	-0.674
H11	0.382	2.525	0.860
H12	-0.382	-2.525	0.860
H13	-1.329	2.437	0.413
H14	1.329	-2.437	0.413

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2220	1.3917	1.3917	2.4315	2.4315	2.0208	2.0208	3.3317	3.3317	2.6667	2.6667	2.7938	2.7938
O2	1.2220		2.3025	2.3025	2.7526	2.7526	3.1028	3.1028	3.8038	3.8038	2.5942	2.5942	2.9184	2.9184
N3	1.3917	2.3025		2.3241	1.4619	3.6531	1.0111	2.4376	2.0822	4.4031	2.0865	4.0114	2.1374	3.9868
N4	1.3917	2.3025	2.3241		3.6531	1.4619	2.4376	1.0111	4.4031	2.0822	4.0114	2.0865	3.9868	2.1374
C5	2.4315	2.7526	1.4619	3.6531		4.8609	2.0917	3.8924	1.0914	5.7112	1.0892	5.0075	1.0959	5.1306
C6	2.4315	2.7526	3.6531	1.4619	4.8609		3.8924	2.0917	5.7112	1.0914	5.0075	1.0892	5.1306	1.0959
H7	2.0208	3.1028	1.0111	2.4376	2.0917	3.8924		2.3122	2.3742	4.4321	2.9576	4.3275	2.5601	4.3980
H8	2.0208	3.1028	2.4376	1.0111	3.8924	2.0917	2.3122		4.4321	2.3742	4.3275	2.9576	4.3980	2.5601
H9	3.3317	3.8038	2.0822	4.4031	1.0914	5.7112	2.3742	4.4321		6.4842	1.7767	5.9683	1.7865	5.9666
H10	3.3317	3.8038	4.4031	2.0822	5.7112	1.0914	4.4321	2.3742	6.4842		5.9683	1.7767	5.9666	1.7865
H11	2.6667	2.5942	2.0865	4.0114	1.0892	5.0075	2.9576	4.3275	1.7767	5.9683		5.1080	1.7709	5.0711
H12	2.6667	2.5942	4.0114	2.0865	5.0075	1.0892	4.3275	2.9576	5.9683	1.7767	5.1080		5.0711	1.7709
H13	2.7938	2.9184	2.1374	3.9868	1.0959	5.1306	2.5601	4.3980	1.7865	5.9666	1.7709	5.0711		5.5508
H14	2.7938	2.9184	3.9868	2.1374	5.1306	1.0959	4.3980	2.5601	5.9666	1.7865	5.0711	1.7709	5.5508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.855	C1	N3	H7	113.558
C1	N4	C6	116.855	C1	N4	H8	113.558
O2	C1	N3	123.382	O2	C1	N4	123.382
N3	C1	N4	113.236	N3	C5	H9	108.403
N3	C5	H11	108.872	N3	C5	H13	112.576
N4	C6	H10	108.403	N4	C6	H12	108.872
N4	C6	H14	112.576	C5	N3	H7	114.282
C6	N4	H8	114.282	H9	C5	H11	109.130
H9	C5	H13	109.524	H10	C6	H12	109.130
H10	C6	H14	109.524	H11	C5	H13	108.286
H12	C6	H14	108.286

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

using model chemistry: QCISD(T)/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: QCISD(T)/TZVP

States and conformations

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