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	hartrees
Energy at 0K	-50.327125
Energy at 298.15K	-50.335396
HF Energy	-49.555850
Nuclear repulsion energy	101.821368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3696	3521	24.58
2	A	3626	3455	31.04
3	A	3572	3403	20.55
4	A	3190	3040	21.17
5	A	3150	3001	35.55
6	A	3064	2920	45.76
7	A	1786	1702	449.85
8	A	1676	1597	139.83
9	A	1552	1479	26.68
10	A	1530	1458	10.07
11	A	1516	1444	26.67
12	A	1470	1400	27.67
13	A	1420	1353	181.15
14	A	1212	1155	1.60
15	A	1167	1112	37.18
16	A	1156	1101	16.83
17	A	1084	1032	32.48
18	A	889	847	3.05
19	A	777	740	103.43
20	A	669	638	44.16
21	A	630	601	243.99
22	A	540	515	21.31
23	A	497	474	47.52
24	A	413	394	55.73
25	A	289	275	2.20
26	A	181	172	4.63
27	A	100	95	8.98

Atom	x (Å)	y (Å)	z (Å)
C1	-1.845	0.063	0.130
H2	-2.038	0.902	-0.546
H3	-2.685	-0.629	0.039
H4	-1.794	0.439	1.159
H5	-0.627	-1.656	-0.102
N6	-0.626	-0.655	-0.270
C7	0.646	-0.139	-0.033
H8	0.051	1.773	-0.525
H9	1.657	1.589	-0.017
N10	0.700	1.261	0.064
O11	1.644	-0.858	0.105

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0948	1.0921	1.0963	2.1198	1.4704	2.5051	2.6358	3.8234	2.8136	3.6090
H2	1.0948		1.7621	1.7831	2.9554	2.1201	2.9245	2.2630	3.7954	2.8277	4.1327
H3	1.0921	1.7621		1.7858	2.3048	2.0824	3.3682	3.6840	4.8765	3.8769	4.3362
H4	1.0963	1.7831	1.7858		2.7096	2.1454	2.7768	2.8315	3.8233	2.8447	3.8229
H5	2.1198	2.9554	2.3048	2.7096		1.0153	1.9820	3.5209	3.9699	3.2091	2.4167
N6	1.4704	2.1201	2.0824	2.1454	1.0153		1.3933	2.5331	3.2116	2.3538	2.3100
C7	2.5051	2.9245	3.3682	2.7768	1.9820	1.3933		2.0619	2.0025	1.4045	1.2374
H8	2.6358	2.2630	3.6840	2.8315	3.5209	2.5331	2.0619		1.6945	1.0151	3.1390
H9	3.8234	3.7954	4.8765	3.8233	3.9699	3.2116	2.0025	1.6945		1.0155	2.4500
N10	2.8136	2.8277	3.8769	2.8447	3.2091	2.3538	1.4045	1.0151	1.0155		2.3198
O11	3.6090	4.1327	4.3362	3.8229	2.4167	2.3100	1.2374	3.1390	2.4500	2.3198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	115.829	C1	N6	C7	122.015
H2	C1	H3	107.370	H2	C1	H4	108.930
H2	C1	N6	110.628	H3	C1	H4	109.375
H3	C1	N6	107.803	H4	C1	N6	112.591
H5	N6	C7	109.754	N6	C7	N10	114.559
N6	C7	O11	122.724	C7	N10	H8	115.971
C7	N10	H9	110.655	H8	N10	H9	113.130
N10	C7	O11	122.704

All results from a given calculation for C₂H₆N₂O (Urea, methyl-)

using model chemistry: MP2/CEP-121G*

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 C2H6N2O (Urea, methyl-)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₂H₆N₂O (Urea, methyl-)