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	hartrees
Energy at 0K	-263.969058
Energy at 298.15K	-263.977408
HF Energy	-263.071630
Nuclear repulsion energy	182.958861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3751	3553	26.19
2	A	3683	3488	32.88
3	A	3631	3439	21.65
4	A	3194	3025	16.35
5	A	3144	2978	33.30
6	A	3073	2910	41.12
7	A	1845	1747	434.03
8	A	1701	1611	138.05
9	A	1565	1482	35.48
10	A	1537	1456	12.01
11	A	1525	1444	46.94
12	A	1494	1415	23.26
13	A	1441	1364	163.47
14	A	1229	1164	3.15
15	A	1183	1120	30.17
16	A	1172	1110	11.36
17	A	1105	1046	31.96
18	A	909	860	3.98
19	A	806	763	91.93
20	A	660	625	28.95
21	A	627	594	240.40
22	A	556	526	21.31
23	A	510	483	45.57
24	A	427	404	74.07
25	A	295	279	2.36
26	A	180	171	3.93
27	A	110	104	7.61

Atom	x (Å)	y (Å)	z (Å)
C1	-1.857	0.047	0.121
H2	-2.088	0.827	-0.610
H3	-2.679	-0.667	0.095
H4	-1.814	0.503	1.115
H5	-0.621	-1.649	-0.079
N6	-0.632	-0.653	-0.227
C7	0.623	-0.113	-0.029
H8	-0.037	1.773	-0.511
H9	1.578	1.638	-0.034
N10	0.642	1.274	0.041
O11	1.624	-0.797	0.097

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0932	1.0895	1.0939	2.1085	1.4533	2.4895	2.5866	3.7887	2.7850	3.5820
H2	1.0932		1.7541	1.7763	2.9265	2.1110	2.9276	2.2615	3.7992	2.8421	4.1130
H3	1.0895	1.7541		1.7764	2.2874	2.0725	3.3506	3.6474	4.8431	3.8473	4.3053
H4	1.0939	1.7763	1.7764		2.7348	2.1291	2.7613	2.7233	3.7571	2.7894	3.8139
H5	2.1085	2.9265	2.2874	2.7348		1.0072	1.9775	3.4986	3.9553	3.1871	2.4078
N6	1.4533	2.1110	2.0725	2.1291	1.0072		1.3805	2.5141	3.1892	2.3259	2.2837
C7	2.4895	2.9276	3.3506	2.7613	1.9775	1.3805		2.0553	1.9945	1.3892	1.2191
H8	2.5866	2.2615	3.6474	2.7233	3.4986	2.5141	2.0553		1.6895	1.0068	3.1198
H9	3.7887	3.7992	4.8431	3.7571	3.9553	3.1892	1.9945	1.6895		1.0072	2.4390
N10	2.7850	2.8421	3.8473	2.7894	3.1871	2.3259	1.3892	1.0068	1.0072		2.2933
O11	3.5820	4.1130	4.3053	3.8139	2.4078	2.2837	1.2191	3.1198	2.4390	2.2933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	116.789	C1	N6	C7	122.900
H2	C1	H3	106.956	H2	C1	H4	108.613
H2	C1	N6	111.206	H3	C1	H4	108.892
H3	C1	N6	108.341	H4	C1	N6	112.651
H5	N6	C7	110.853	N6	C7	N10	114.226
N6	C7	O11	122.796	C7	N10	H8	117.254
C7	N10	H9	111.676	H8	N10	H9	114.043
N10	C7	O11	122.967

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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