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	hartrees
Energy at 0K	-262.084248
Energy at 298.15K	-262.092289
HF Energy	-261.542272
Nuclear repulsion energy	180.443890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3661	3548	20.61
2	A	3593	3482	27.44
3	A	3539	3430	19.58
4	A	3101	3006	18.47
5	A	3044	2950	38.84
6	A	2996	2904	43.19
7	A	1755	1701	300.46
8	A	1701	1649	105.74
9	A	1607	1557	15.76
10	A	1567	1519	4.54
11	A	1523	1476	31.17
12	A	1481	1436	3.49
13	A	1398	1355	266.18
14	A	1206	1169	2.37
15	A	1186	1150	1.32
16	A	1130	1095	40.97
17	A	1074	1041	41.42
18	A	870	843	4.24
19	A	777	753	104.91
20	A	593	575	90.83
21	A	553	536	136.36
22	A	535	519	8.87
23	A	482	467	21.46
24	A	354	343	196.12
25	A	280	271	21.13
26	A	138	134	7.35
27	A	105	102	5.95

Atom	x (Å)	y (Å)	z (Å)
C1	-1.892	0.029	0.094
H2	-2.162	0.694	-0.742
H3	-2.691	-0.716	0.199
H4	-1.841	0.628	1.016
H5	-0.618	-1.697	-0.141
N6	-0.622	-0.684	-0.155
C7	0.638	-0.109	-0.022
H8	-0.135	1.813	-0.422
H9	1.525	1.732	0.057
N10	0.614	1.289	0.014
O11	1.688	-0.777	0.073

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1026	1.0972	1.1005	2.1588	1.4778	2.5370	2.5568	3.8180	2.8062	3.6698
H2	1.1026		1.7760	1.7892	2.9095	2.1482	3.0009	2.3372	3.9124	2.9380	4.2013
H3	1.0972	1.7760		1.7875	2.3194	2.0996	3.3917	3.6488	4.8770	3.8700	4.3815
H4	1.1005	1.7892	1.7875		2.8711	2.1399	2.7870	2.5265	3.6699	2.7328	3.9135
H5	2.1588	2.9095	2.3194	2.8711		1.0136	2.0289	3.5548	4.0484	3.2343	2.4921
N6	1.4778	2.1482	2.0996	2.1399	1.0136		1.3919	2.5581	3.2388	2.3344	2.3233
C7	2.5370	3.0009	3.3917	2.7870	2.0289	1.3919		2.1100	2.0444	1.3984	1.2479
H8	2.5568	2.3372	3.6488	2.5265	3.5548	2.5581	2.1100		1.7295	1.0130	3.2059
H9	3.8180	3.9124	4.8770	3.6699	4.0484	3.2388	2.0444	1.7295		1.0136	2.5140
N10	2.8062	2.9380	3.8700	2.7328	3.2343	2.3344	1.3984	1.0130	1.0136		2.3292
O11	3.6698	4.2013	4.3815	3.9135	2.4921	2.3233	1.2479	3.2059	2.5140	2.3292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	118.925	C1	N6	C7	124.244
H2	C1	H3	107.683	H2	C1	H4	108.608
H2	C1	N6	111.895	H3	C1	H4	108.849
H3	C1	N6	108.348	H4	C1	N6	111.348
H5	N6	C7	114.082	N6	C7	N10	113.560
N6	C7	O11	123.213	C7	N10	H8	121.266
C7	N10	H9	114.960	H8	N10	H9	117.163
N10	C7	O11	123.221

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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