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	hartrees
Energy at 0K	-262.053203
Energy at 298.15K	-262.061264
HF Energy	-261.542142
Nuclear repulsion energy	180.440219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3696	3516	24.72
2	A	3614	3438	31.33
3	A	3567	3393	24.24
4	A	3168	3014	16.75
5	A	3114	2962	37.28
6	A	3058	2910	40.45
7	A	1771	1685	283.71
8	A	1712	1629	99.02
9	A	1632	1553	16.50
10	A	1591	1514	4.80
11	A	1540	1465	25.93
12	A	1489	1416	1.68
13	A	1397	1329	275.88
14	A	1216	1157	3.55
15	A	1201	1143	1.25
16	A	1135	1080	39.69
17	A	1078	1025	45.63
18	A	871	829	4.27
19	A	778	740	90.26
20	A	597	568	101.52
21	A	558	531	130.99
22	A	537	511	8.63
23	A	485	462	22.31
24	A	364	346	195.21
25	A	282	269	14.48
26	A	139	133	6.33
27	A	106	101	6.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.890	0.026	0.099
H2	-2.167	0.689	-0.730
H3	-2.684	-0.717	0.210
H4	-1.829	0.621	1.018
H5	-0.617	-1.697	-0.147
N6	-0.623	-0.684	-0.164
C7	0.639	-0.108	-0.023
H8	-0.137	1.808	-0.437
H9	1.515	1.736	0.061
N10	0.606	1.291	0.013
O11	1.692	-0.774	0.077

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0978	1.0929	1.0960	2.1558	1.4761	2.5353	2.5560	3.8100	2.7999	3.6698
H2	1.0978		1.7690	1.7818	2.9044	2.1429	3.0016	2.3356	3.9082	2.9336	4.2051
H3	1.0929	1.7690		1.7810	2.3146	2.0949	3.3861	3.6437	4.8647	3.8596	4.3779
H4	1.0960	1.7818	1.7810		2.8630	2.1342	2.7761	2.5272	3.6523	2.7184	3.9021
H5	2.1558	2.9044	2.3146	2.8630		1.0129	2.0293	3.5495	4.0469	3.2334	2.4969
N6	1.4761	2.1429	2.0949	2.1342	1.0129		1.3942	2.5536	3.2370	2.3336	2.3288
C7	2.5353	3.0016	3.3861	2.7761	2.0293	1.3942		2.1087	2.0437	1.4008	1.2496
H8	2.5560	2.3356	3.6437	2.5272	3.5495	2.5536	2.1087		1.7268	1.0114	3.2060
H9	3.8100	3.9082	4.8647	3.6523	4.0469	3.2370	2.0437	1.7268		1.0124	2.5170
N10	2.7999	2.9336	3.8596	2.7184	3.2334	2.3336	1.4008	1.0114	1.0124		2.3344
O11	3.6698	4.2051	4.3779	3.9021	2.4969	2.3288	1.2496	3.2060	2.5170	2.3344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	118.851	C1	N6	C7	124.064
H2	C1	H3	107.702	H2	C1	H4	108.616
H2	C1	N6	111.882	H3	C1	H4	108.906
H3	C1	N6	108.342	H4	C1	N6	111.287
H5	N6	C7	113.993	N6	C7	N10	113.220
N6	C7	O11	123.399	C7	N10	H8	121.053
C7	N10	H9	114.803	H8	N10	H9	117.136
N10	C7	O11	123.375

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

using model chemistry: MP2/3-21G*

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 C2H6N2O (Urea, methyl-)

using model chemistry: MP2/3-21G*

States and conformations

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