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	hartrees
Energy at 0K	-302.444914
Energy at 298.15K	-302.454762
HF Energy	-301.905985
Nuclear repulsion energy	246.338933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3532	33.41
2	A	3248	3046	4.92
3	A	3180	2983	9.18
4	A	3116	2922	0.01
5	A	1765	1655	208.20
6	A	1632	1531	56.81
7	A	1603	1503	2.39
8	A	1591	1492	14.89
9	A	1540	1444	41.41
10	A	1253	1175	0.93
11	A	1238	1161	13.63
12	A	1222	1146	2.70
13	A	960	900	5.10
14	A	518	486	3.90
15	A	323	303	29.41
16	A	244	229	2.07
17	A	178	167	0.54
18	A	29	27	0.01
19	B	3758	3524	9.16
20	B	3248	3046	2.46
21	B	3180	2983	79.79
22	B	3113	2919	123.46
23	B	1675	1570	432.53
24	B	1614	1513	27.62
25	B	1593	1494	79.45
26	B	1549	1453	8.33
27	B	1360	1275	271.89
28	B	1231	1154	3.14
29	B	1222	1146	31.67
30	B	1078	1011	2.16
31	B	769	722	81.96
32	B	735	689	6.14
33	B	534	501	315.60
34	B	367	344	34.06
35	B	128	120	15.77
36	B	45	42	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.092
O2	0.000	0.000	1.345
N3	0.010	1.162	-0.647
N4	-0.010	-1.162	-0.647
C5	0.000	2.473	-0.001
C6	0.000	-2.473	-0.001
H7	-0.148	1.120	-1.636
H8	0.148	-1.120	-1.636
H9	0.612	3.170	-0.577
H10	-0.612	-3.170	-0.577
H11	0.422	2.362	0.996
H12	-0.422	-2.362	0.996
H13	-1.012	2.878	0.095
H14	1.012	-2.878	0.095

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2526	1.3772	1.3772	2.4745	2.4745	2.0653	2.0653	3.2970	3.2970	2.5638	2.5638	3.0510	3.0510
O2	1.2526		2.3062	2.3062	2.8153	2.8153	3.1883	3.1883	3.7570	3.7570	2.4247	2.4247	3.2972	3.2972
N3	1.3772	2.3062		2.3234	1.4618	3.6915	1.0027	2.4907	2.0976	4.3765	2.0760	3.9118	2.1314	4.2280
N4	1.3772	2.3062	2.3234		3.6915	1.4618	2.4907	1.0027	4.3765	2.0976	3.9118	2.0760	4.2280	2.1314
C5	2.4745	2.8153	1.4618	3.6915		4.9455	2.1277	3.9503	1.0917	5.7048	1.0880	4.9544	1.0945	5.4468
C6	2.4745	2.8153	3.6915	1.4618	4.9455		3.9503	2.1277	5.7048	1.0917	4.9544	1.0880	5.4468	1.0945
H7	2.0653	3.1883	1.0027	2.4907	2.1277	3.9503		2.2594	2.4295	4.4431	2.9658	4.3736	2.6146	4.5088
H8	2.0653	3.1883	2.4907	1.0027	3.9503	2.1277	2.2594		4.4431	2.4295	4.3736	2.9658	4.5088	2.6146
H9	3.2970	3.7570	2.0976	4.3765	1.0917	5.7048	2.4295	4.4431		6.4567	1.7780	5.8432	1.7813	6.0985
H10	3.2970	3.7570	4.3765	2.0976	5.7048	1.0917	4.4431	2.4295	6.4567		5.8432	1.7780	6.0985	1.7813
H11	2.5638	2.4247	2.0760	3.9118	1.0880	4.9544	2.9658	4.3736	1.7780	5.8432		4.7988	1.7705	5.3498
H12	2.5638	2.4247	3.9118	2.0760	4.9544	1.0880	4.3736	2.9658	5.8432	1.7780	4.7988		5.3498	1.7705
H13	3.0510	3.2972	2.1314	4.2280	1.0945	5.4468	2.6146	4.5088	1.7813	6.0985	1.7705	5.3498		6.1021
H14	3.0510	3.2972	4.2280	2.1314	5.4468	1.0945	4.5088	2.6146	6.0985	1.7813	5.3498	1.7705	6.1021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	121.270	C1	N3	H7	119.580
C1	N4	C6	121.270	C1	N4	H8	119.580
O2	C1	N3	122.484	O2	C1	N4	122.484
N3	C1	N4	115.032	N3	C5	H9	109.612
N3	C5	H11	108.120	N3	C5	H13	112.178
N4	C6	H10	109.612	N4	C6	H12	108.120
N4	C6	H14	112.178	C5	N3	H7	118.188
C6	N4	H8	118.188	H9	C5	H11	109.322
H9	C5	H13	109.134	H10	C6	H12	109.322
H10	C6	H14	109.134	H11	C5	H13	108.427
H12	C6	H14	108.427

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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