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	hartrees
Energy at 0K	-263.879521
Energy at 298.15K	-263.887833
HF Energy	-263.035418
Nuclear repulsion energy	182.977788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3816	3555	38.53
2	A	3756	3499	44.15
3	A	3696	3443	30.06
4	A	3242	3020	16.35
5	A	3189	2971	30.34
6	A	3122	2908	43.31
7	A	1851	1724	619.28
8	A	1695	1579	147.74
9	A	1580	1472	33.11
10	A	1549	1443	14.60
11	A	1543	1438	58.47
12	A	1512	1409	41.32
13	A	1461	1361	161.01
14	A	1242	1157	3.61
15	A	1190	1108	19.92
16	A	1179	1098	25.18
17	A	1118	1042	28.48
18	A	921	858	4.97
19	A	793	739	64.95
20	A	634	591	40.18
21	A	598	557	207.70
22	A	558	520	18.52
23	A	509	475	57.13
24	A	417	389	87.43
25	A	294	274	2.51
26	A	177	164	3.24
27	A	110	103	7.82

Atom	x (Å)	y (Å)	z (Å)
C1	-1.870	0.047	0.092
H2	-2.070	0.801	-0.669
H3	-2.683	-0.671	0.056
H4	-1.872	0.529	1.071
H5	-0.624	-1.656	-0.059
N6	-0.629	-0.658	-0.173
C7	0.625	-0.112	-0.024
H8	-0.073	1.795	-0.421
H9	1.574	1.653	-0.050
N10	0.649	1.272	0.042
O11	1.634	-0.794	0.073

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0900	1.0853	1.0904	2.1160	1.4519	2.5024	2.5584	3.8027	2.8010	3.6034
H2	1.0900		1.7511	1.7722	2.9159	2.1101	2.9179	2.2449	3.7939	2.8499	4.1009
H3	1.0853	1.7511		1.7680	2.2856	2.0666	3.3553	3.6218	4.8511	3.8566	4.3184
H4	1.0904	1.7722	1.7680		2.7582	2.1217	2.8004	2.6574	3.7941	2.8222	3.8775
H5	2.1160	2.9159	2.2856	2.7582		1.0044	1.9860	3.5138	3.9728	3.1941	2.4202
N6	1.4519	2.1101	2.0666	2.1217	1.0044		1.3758	2.5279	3.1958	2.3248	2.2804
C7	2.5024	2.9179	3.3553	2.8004	1.9860	1.3758		2.0695	2.0047	1.3857	1.2218
H8	2.5584	2.2449	3.6218	2.6574	3.5138	2.5279	2.0695		1.6946	1.0047	3.1406
H9	3.8027	3.7939	4.8511	3.7941	3.9728	3.1958	2.0047	1.6946		1.0050	2.4512
N10	2.8010	2.8499	3.8566	2.8222	3.1941	2.3248	1.3857	1.0047	1.0050		2.2889
O11	3.6034	4.1009	4.3184	3.8775	2.4202	2.2804	1.2218	3.1406	2.4512	2.2889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.801	C1	N6	C7	124.471
H2	C1	H3	107.228	H2	C1	H4	108.741
H2	C1	N6	111.431	H3	C1	H4	108.703
H3	C1	N6	108.210	H4	C1	N6	112.363
H5	N6	C7	112.159	N6	C7	N10	114.677
N6	C7	O11	122.667	C7	N10	H8	119.087
C7	N10	H9	113.006	H8	N10	H9	114.964
N10	C7	O11	122.637

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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