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	hartrees
Energy at 0K	-263.826072
Energy at 298.15K	-263.834395
HF Energy	-263.035055
Nuclear repulsion energy	182.153964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3711	3535	27.17
2	A	3642	3469	33.69
3	A	3587	3417	19.39
4	A	3197	3045	16.22
5	A	3150	3001	33.52
6	A	3069	2923	43.47
7	A	1847	1759	386.20
8	A	1627	1550	124.97
9	A	1522	1449	36.90
10	A	1495	1424	57.02
11	A	1493	1422	19.75
12	A	1454	1385	23.74
13	A	1415	1347	113.70
14	A	1214	1156	7.23
15	A	1162	1107	38.15
16	A	1151	1096	0.32
17	A	1085	1034	28.61
18	A	904	861	3.94
19	A	802	764	78.61
20	A	672	640	41.06
21	A	623	593	200.37
22	A	550	524	19.06
23	A	499	476	40.91
24	A	411	392	54.96
25	A	292	278	1.59
26	A	182	173	4.84
27	A	109	104	6.74

Atom	x (Å)	y (Å)	z (Å)
C1	-1.854	0.045	0.135
H2	-2.053	0.903	-0.528
H3	-2.702	-0.647	0.023
H4	-1.829	0.413	1.177
H5	-0.624	-1.651	-0.069
N6	-0.637	-0.652	-0.259
C7	0.625	-0.113	-0.031
H8	-0.017	1.758	-0.568
H9	1.586	1.634	-0.056
N10	0.638	1.283	0.049
O11	1.626	-0.802	0.109

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1030	1.0999	1.1052	2.1045	1.4570	2.4891	2.6082	3.7945	2.7834	3.5820
H2	1.1030		1.7680	1.7884	2.9621	2.1204	2.9070	2.2088	3.7422	2.7781	4.1052
H3	1.0999	1.7680		1.7935	2.3098	2.0847	3.3697	3.6523	4.8579	3.8569	4.3322
H4	1.1052	1.7884	1.7935		2.6954	2.1494	2.7852	2.8523	3.8312	2.8486	3.8158
H5	2.1045	2.9621	2.3098	2.6954		1.0168	1.9809	3.4976	3.9593	3.1951	2.4115
N6	1.4570	2.1204	2.0847	2.1494	1.0168		1.3904	2.5070	3.1952	2.3367	2.2977
C7	2.4891	2.9070	3.3697	2.7852	1.9809	1.3904		2.0494	1.9948	1.3980	1.2239
H8	2.6082	2.2088	3.6523	2.8523	3.4976	2.5070	2.0494		1.6872	1.0169	3.1163
H9	3.7945	3.7422	4.8579	3.8312	3.9593	3.1952	1.9948	1.6872		1.0172	2.4425
N10	2.7834	2.7781	3.8569	2.8486	3.1951	2.3367	1.3980	1.0169	1.0172		2.3081
O11	3.5820	4.1052	4.3322	3.8158	2.4115	2.2977	1.2239	3.1163	2.4425	2.3081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	115.426	C1	N6	C7	121.880
H2	C1	H3	106.752	H2	C1	H4	108.167
H2	C1	N6	111.093	H3	C1	H4	108.840
H3	C1	N6	108.430	H4	C1	N6	113.334
H5	N6	C7	109.781	N6	C7	N10	113.863
N6	C7	O11	122.897	C7	N10	H8	115.221
C7	N10	H9	110.376	H8	N10	H9	112.088
N10	C7	O11	123.231

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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