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	hartrees
Energy at 0K	-264.599261
Energy at 298.15K	-264.607294
HF Energy	-264.599261
Nuclear repulsion energy	182.494210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3672	3543	23.72
2	A	3635	3508	30.44
3	A	3553	3428	12.12
4	A	3127	3018	17.47
5	A	3051	2945	41.22
6	A	3003	2898	48.87
7	A	1802	1739	395.39
8	A	1626	1569	109.38
9	A	1532	1478	26.63
10	A	1500	1448	6.79
11	A	1488	1436	47.65
12	A	1437	1387	27.27
13	A	1396	1347	149.22
14	A	1202	1160	2.06
15	A	1154	1114	6.32
16	A	1132	1093	29.66
17	A	1068	1031	29.76
18	A	883	853	4.05
19	A	769	742	47.43
20	A	594	574	40.55
21	A	569	549	147.47
22	A	528	509	14.49
23	A	479	462	34.36
24	A	386	372	88.65
25	A	264	255	3.26
26	A	142	137	4.98
27	A	95	91	3.26

Atom	x (Å)	y (Å)	z (Å)
C1	-1.873	0.046	0.091
H2	-2.077	0.801	-0.679
H3	-2.693	-0.674	0.060
H4	-1.876	0.541	1.071
H5	-0.619	-1.656	-0.037
N6	-0.630	-0.658	-0.176
C7	0.628	-0.112	-0.024
H8	-0.063	1.792	-0.443
H9	1.583	1.642	-0.074
N10	0.650	1.276	0.052
O11	1.634	-0.797	0.071

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0977	1.0918	1.0978	2.1180	1.4528	2.5078	2.5709	3.8098	2.8068	3.6067
H2	1.0977		1.7610	1.7810	2.9281	2.1149	2.9285	2.2568	3.8036	2.8629	4.1094
H3	1.0918	1.7610		1.7791	2.2965	2.0763	3.3686	3.6402	4.8644	3.8700	4.3286
H4	1.0978	1.7810	1.7791		2.7635	2.1319	2.8097	2.6735	3.8065	2.8220	3.8875
H5	2.1180	2.9281	2.2965	2.7635		1.0086	1.9850	3.5168	3.9659	3.1962	2.4142
N6	1.4528	2.1149	2.0763	2.1319	1.0086		1.3793	2.5287	3.1928	2.3297	2.2819
C7	2.5078	2.9285	3.3686	2.8097	1.9850	1.3793		2.0687	1.9975	1.3896	1.2213
H8	2.5709	2.2568	3.6402	2.6735	3.5168	2.5287	2.0687		1.6939	1.0105	3.1386
H9	3.8098	3.8036	4.8644	3.8065	3.9659	3.1928	1.9975	1.6939		1.0098	2.4435
N10	2.8068	2.8629	3.8700	2.8220	3.1962	2.3297	1.3896	1.0105	1.0098		2.2943
O11	3.6067	4.1094	4.3286	3.8875	2.4142	2.2819	1.2213	3.1386	2.4435	2.2943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.605	C1	N6	C7	124.609
H2	C1	H3	107.078	H2	C1	H4	108.428
H2	C1	N6	111.270	H3	C1	H4	108.681
H3	C1	N6	108.531	H4	C1	N6	112.671
H5	N6	C7	111.522	N6	C7	N10	114.569
N6	C7	O11	122.556	C7	N10	H8	118.210
C7	N10	H9	111.742	H8	N10	H9	113.958
N10	C7	O11	122.850

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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