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	hartrees
Energy at 0K	-263.668887
Energy at 298.15K	-263.677268
HF Energy	-263.010491
Nuclear repulsion energy	183.671649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3836	3544	37.90
2	A	3778	3490	44.30
3	A	3723	3439	34.43
4	A	3271	3022	18.16
5	A	3222	2976	37.08
6	A	3159	2918	38.48
7	A	1930	1783	536.44
8	A	1739	1606	157.76
9	A	1618	1495	34.89
10	A	1591	1470	22.07
11	A	1585	1464	58.42
12	A	1554	1435	46.64
13	A	1503	1389	139.49
14	A	1278	1180	3.99
15	A	1222	1129	22.17
16	A	1211	1118	20.80
17	A	1151	1063	27.54
18	A	944	872	4.75
19	A	834	770	112.70
20	A	656	606	48.01
21	A	615	568	201.18
22	A	573	529	20.67
23	A	520	480	52.62
24	A	423	391	112.04
25	A	300	277	2.45
26	A	178	165	3.87
27	A	111	103	7.30

Atom	x (Å)	y (Å)	z (Å)
C1	-1.862	0.056	0.106
H2	-2.071	0.828	-0.633
H3	-2.678	-0.658	0.062
H4	-1.849	0.513	1.095
H5	-0.628	-1.640	-0.074
N6	-0.632	-0.645	-0.200
C7	0.619	-0.113	-0.024
H8	-0.020	1.786	-0.474
H9	1.600	1.618	-0.038
N10	0.664	1.263	0.042
O11	1.610	-0.804	0.084

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0895	1.0854	1.0899	2.1049	1.4480	2.4895	2.5930	3.8005	2.7999	3.5769
H2	1.0895		1.7496	1.7705	2.9136	2.1045	2.9143	2.2694	3.8017	2.8502	4.0904
H3	1.0854	1.7496		1.7681	2.2780	2.0634	3.3429	3.6510	4.8470	3.8550	4.2913
H4	1.0899	1.7705	1.7681		2.7380	2.1214	2.7813	2.7256	3.7948	2.8258	3.8375
H5	2.1049	2.9136	2.2780	2.7380		1.0033	1.9715	3.5027	3.9468	3.1797	2.3943
N6	1.4480	2.1045	2.0634	2.1214	1.0033		1.3701	2.5217	3.1821	2.3189	2.2656
C7	2.4895	2.9143	3.3429	2.7813	1.9715	1.3701		2.0540	1.9900	1.3790	1.2132
H8	2.5930	2.2694	3.6510	2.7256	3.5027	2.5217	2.0540		1.6858	1.0036	3.1110
H9	3.8005	3.8017	4.8470	3.7948	3.9468	3.1821	1.9900	1.6858		1.0043	2.4249
N10	2.7999	2.8502	3.8550	2.8258	3.1797	2.3189	1.3790	1.0036	1.0043		2.2741
O11	3.5769	4.0904	4.2913	3.8375	2.3943	2.2656	1.2132	3.1110	2.4249	2.2741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.187	C1	N6	C7	124.092
H2	C1	H3	107.116	H2	C1	H4	108.654
H2	C1	N6	111.283	H3	C1	H4	108.736
H3	C1	N6	108.220	H4	C1	N6	112.653
H5	N6	C7	111.398	N6	C7	N10	115.027
N6	C7	O11	122.460	C7	N10	H8	118.255
C7	N10	H9	112.268	H8	N10	H9	114.187
N10	C7	O11	122.506

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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