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	hartrees
Energy at 0K	-263.411352
Energy at 298.15K	-263.419353
HF Energy	-262.891511
Nuclear repulsion energy	179.909560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3775	3612	35.48
2	A	3672	3513	39.72
3	A	3634	3477	36.31
4	A	3171	3034	17.18
5	A	3108	2974	43.36
6	A	3044	2912	43.29
7	A	1751	1675	332.03
8	A	1699	1626	182.86
9	A	1601	1531	18.94
10	A	1561	1493	8.41
11	A	1544	1477	60.27
12	A	1497	1433	13.11
13	A	1451	1389	258.66
14	A	1219	1167	1.82
15	A	1194	1142	1.38
16	A	1154	1104	36.34
17	A	1093	1045	28.91
18	A	889	850	4.27
19	A	724	693	93.89
20	A	588	563	69.83
21	A	551	527	176.36
22	A	531	509	10.19
23	A	475	455	11.65
24	A	348	333	249.54
25	A	287	274	9.59
26	A	143	137	8.51
27	A	94	90	5.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.910	0.038	0.060
H2	-2.121	0.698	-0.795
H3	-2.712	-0.706	0.113
H4	-1.927	0.635	0.984
H5	-0.630	-1.686	-0.091
N6	-0.635	-0.675	-0.099
C7	0.630	-0.104	-0.015
H8	-0.128	1.858	-0.274
H9	1.569	1.714	0.036
N10	0.654	1.289	0.012
O11	1.686	-0.801	0.046

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1008	1.0951	1.0998	2.1525	1.4697	2.5455	2.5693	3.8622	2.8536	3.6924
H2	1.1008		1.7736	1.7906	2.8986	2.1397	2.9702	2.3644	3.9168	2.9499	4.1767
H3	1.0951	1.7736		1.7808	2.3101	2.0882	3.3984	3.6609	4.9186	3.9142	4.3992
H4	1.0998	1.7906	1.7808		2.8678	2.1352	2.8436	2.5134	3.7802	2.8351	3.9994
H5	2.1525	2.8986	2.3101	2.8678		1.0110	2.0237	3.5840	4.0516	3.2418	2.4829
N6	1.4697	2.1397	2.0882	2.1352	1.0110		1.3904	2.5891	3.2535	2.3517	2.3284
C7	2.5455	2.9702	3.3984	2.8436	2.0237	1.3904		2.1195	2.0475	1.3937	1.2660
H8	2.5693	2.3644	3.6609	2.5134	3.5840	2.5891	2.1195		1.7308	1.0084	3.2341
H9	3.8622	3.9168	4.9186	3.7802	4.0516	3.2535	2.0475	1.7308		1.0093	2.5181
N10	2.8536	2.9499	3.9142	2.8351	3.2418	2.3517	1.3937	1.0084	1.0093		2.3306
O11	3.6924	4.1767	4.3992	3.9994	2.4829	2.3284	1.2660	3.2341	2.5181	2.3306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	119.227	C1	N6	C7	125.726
H2	C1	H3	107.739	H2	C1	H4	108.908
H2	C1	N6	111.894	H3	C1	H4	108.452
H3	C1	N6	108.126	H4	C1	N6	111.589
H5	N6	C7	113.929	N6	C7	N10	115.282
N6	C7	O11	122.391	C7	N10	H8	123.053
C7	N10	H9	115.951	H8	N10	H9	118.146
N10	C7	O11	122.325

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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