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	hartrees
Energy at 0K	-303.022374
Energy at 298.15K	-303.032552
HF Energy	-302.038331
Nuclear repulsion energy	247.645384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3578	3473
2	A	3181	3088
3	A	3129	3037
4	A	3049	2960
5	A	1819	1765
6	A	1560	1515
7	A	1534	1489
8	A	1509	1465
9	A	1486	1442
10	A	1221	1185
11	A	1196	1161
12	A	1160	1126
13	A	939	912
14	A	584	567
15	A	461	447
16	A	228	221
17	A	198	192
18	A	107	103
19	B	3576	3471
20	B	3181	3088
21	B	3129	3037
22	B	3048	2959
23	B	1593	1547
24	B	1548	1503
25	B	1529	1484
26	B	1488	1445
27	B	1296	1258
28	B	1177	1143
29	B	1164	1130
30	B	1065	1034
31	B	764	741
32	B	746	724
33	B	511	496
34	B	325	315
35	B	126	122
36	B	117	114

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.089
O2	0.000	0.000	1.318
N3	0.000	1.161	-0.676
N4	0.000	-1.161	-0.676
C5	-0.260	2.416	0.025
C6	0.260	-2.416	0.025
H7	-0.469	1.069	-1.572
H8	0.469	-1.069	-1.572
H9	-0.076	3.245	-0.668
H10	0.076	-3.245	-0.668
H11	0.431	2.493	0.868
H12	-0.431	-2.493	0.868
H13	-1.286	2.485	0.414
H14	1.286	-2.485	0.414

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2283	1.3906	1.3906	2.4310	2.4310	2.0306	2.0306	3.3331	3.3331	2.6472	2.6472	2.8167	2.8167
O2	1.2283		2.3068	2.3068	2.7528	2.7528	3.1167	3.1167	3.8051	3.8051	2.5697	2.5697	2.9401	2.9401
N3	1.3906	2.3068		2.3227	1.4603	3.6547	1.0164	2.4489	2.0850	4.4070	2.0837	3.9904	2.1431	4.0169
N4	1.3906	2.3068	2.3227		3.6547	1.4603	2.4489	1.0164	4.4070	2.0850	3.9904	2.0837	4.0169	2.1431
C5	2.4310	2.7528	1.4603	3.6547		4.8604	2.1000	3.9021	1.0956	5.7133	1.0927	4.9842	1.1000	5.1538
C6	2.4310	2.7528	3.6547	1.4603	4.8604		3.9021	2.1000	5.7133	1.0956	4.9842	1.0927	5.1538	1.1000
H7	2.0306	3.1167	1.0164	2.4489	2.1000	3.9021		2.3344	2.3893	4.4410	2.9655	4.3177	2.5726	4.4333
H8	2.0306	3.1167	2.4489	1.0164	3.9021	2.1000	2.3344		4.4410	2.3893	4.3177	2.9655	4.4333	2.5726
H9	3.3331	3.8051	2.0850	4.4070	1.0956	5.7133	2.3893	4.4410		6.4917	1.7838	5.9507	1.7927	5.9880
H10	3.3331	3.8051	4.4070	2.0850	5.7133	1.0956	4.4410	2.3893	6.4917		5.9507	1.7838	5.9880	1.7927
H11	2.6472	2.5697	2.0837	3.9904	1.0927	4.9842	2.9655	4.3177	1.7838	5.9507		5.0601	1.7759	5.0712
H12	2.6472	2.5697	3.9904	2.0837	4.9842	1.0927	4.3177	2.9655	5.9507	1.7838	5.0601		5.0712	1.7759
H13	2.8167	2.9401	2.1431	4.0169	1.1000	5.1538	2.5726	4.4333	1.7927	5.9880	1.7759	5.0712		5.5957
H14	2.8167	2.9401	4.0169	2.1431	5.1538	1.1000	4.4333	2.5726	5.9880	1.7927	5.0712	1.7759	5.5957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.999	C1	N3	H7	114.150
C1	N4	C6	116.999	C1	N4	H8	114.150
O2	C1	N3	123.370	O2	C1	N4	123.370
N3	C1	N4	113.261	N3	C5	H9	108.486
N3	C5	H11	108.549	N3	C5	H13	112.909
N4	C6	H10	108.486	N4	C6	H12	108.549
N4	C6	H14	112.909	C5	N3	H7	114.785
C6	N4	H8	114.785	H9	C5	H11	109.203
H9	C5	H13	109.468	H10	C6	H12	109.203
H10	C6	H14	109.468	H11	C5	H13	108.170
H12	C6	H14	108.170

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

using model chemistry: CCSD(T)=FULL/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 NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)