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	hartrees
Energy at 0K	-213.002746
Energy at 298.15K	-213.015558
HF Energy	-212.312849
Nuclear repulsion energy	188.535389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3504	3304	0.36
2	A'	3213	3030	35.70
3	A'	3190	3008	51.71
4	A'	3129	2951	48.87
5	A'	3106	2929	9.66
6	A'	3009	2838	141.66
7	A'	1591	1501	0.65
8	A'	1565	1475	2.84
9	A'	1556	1467	12.90
10	A'	1481	1396	3.75
11	A'	1442	1360	0.33
12	A'	1359	1281	3.87
13	A'	1281	1208	2.10
14	A'	1203	1135	12.85
15	A'	1100	1038	5.66
16	A'	937	884	13.13
17	A'	854	805	2.63
18	A'	813	767	74.64
19	A'	436	411	0.29
20	A'	274	258	1.36
21	A'	192	181	0.94
22	A'	116	110	1.48
23	A"	3213	3030	5.81
24	A"	3190	3008	14.14
25	A"	3127	2949	0.67
26	A"	3106	2929	25.63
27	A"	3006	2835	8.94
28	A"	1581	1491	2.62
29	A"	1564	1475	0.01
30	A"	1560	1471	8.22
31	A"	1519	1433	31.22
32	A"	1467	1383	12.92
33	A"	1398	1318	24.88
34	A"	1324	1249	3.53
35	A"	1198	1130	40.89
36	A"	1150	1084	9.09
37	A"	1103	1040	5.74
38	A"	976	921	0.17
39	A"	833	786	0.58
40	A"	438	413	0.67
41	A"	274	258	0.74
42	A"	114	108	1.32

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.289	0.000
C2	0.017	0.520	1.216
C3	0.017	0.520	-1.216
C4	0.017	-0.371	2.449
C5	0.017	-0.371	-2.449
H6	-0.824	-0.870	0.000
H7	-0.832	1.226	1.260
H8	0.928	1.130	1.202
H9	-0.832	1.226	-1.260
H10	0.928	1.130	-1.202
H11	0.063	0.225	3.364
H12	-0.893	-0.979	2.491
H13	0.876	-1.046	2.422
H14	0.063	0.225	-3.364
H15	-0.893	-0.979	-2.491
H16	0.876	-1.046	-2.422

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4609	1.4609	2.4501	2.4501	1.0218	2.1462	2.0711	2.1462	2.0711	3.4037	2.7401	2.6789	3.4037	2.7401	2.6789
C2	1.4609		2.4325	1.5210	3.7717	2.0293	1.1056	1.0962	2.7113	2.6555	2.1685	2.1678	2.1547	4.5901	4.1009	4.0530
C3	1.4609	2.4325		3.7717	1.5210	2.0293	2.7113	2.6555	1.1056	1.0962	4.5901	4.1009	4.0530	2.1685	2.1678	2.1547
C4	2.4501	1.5210	3.7717		4.8974	2.6366	2.1651	2.1531	4.1263	4.0514	1.0938	1.0949	1.0921	5.8436	5.0594	4.9919
C5	2.4501	3.7717	1.5210	4.8974		2.6366	4.1263	4.0514	2.1651	2.1531	5.8436	5.0594	4.9919	1.0938	1.0949	1.0921
H6	1.0218	2.0293	2.0293	2.6366	2.6366		2.4456	2.9177	2.4456	2.9177	3.6474	2.4943	2.9643	3.6474	2.4943	2.9643
H7	2.1462	1.1056	2.7113	2.1651	4.1263	2.4456		1.7639	2.5195	3.0283	2.4963	2.5262	3.0709	4.8149	4.3513	4.6515
H8	2.0711	1.0962	2.6555	2.1531	4.0514	2.9177	1.7639		3.0283	2.4049	2.4979	3.0694	2.4944	4.7350	4.6263	4.2277
H9	2.1462	2.7113	1.1056	4.1263	2.1651	2.4456	2.5195	3.0283		1.7639	4.8149	4.3513	4.6515	2.4963	2.5262	3.0709
H10	2.0711	2.6555	1.0962	4.0514	2.1531	2.9177	3.0283	2.4049	1.7639		4.7350	4.6263	4.2277	2.4979	3.0694	2.4944
H11	3.4037	2.1685	4.5901	1.0938	5.8436	3.6474	2.4963	2.4979	4.8149	4.7350		1.7680	1.7787	6.7284	6.0536	5.9800
H12	2.7401	2.1678	4.1009	1.0949	5.0594	2.4943	2.5262	3.0694	4.3513	4.6263	1.7680		1.7714	6.0536	4.9820	5.2224
H13	2.6789	2.1547	4.0530	1.0921	4.9919	2.9643	3.0709	2.4944	4.6515	4.2277	1.7787	1.7714		5.9800	5.2224	4.8446
H14	3.4037	4.5901	2.1685	5.8436	1.0938	3.6474	4.8149	4.7350	2.4963	2.4979	6.7284	6.0536	5.9800		1.7680	1.7787
H15	2.7401	4.1009	2.1678	5.0594	1.0949	2.4943	4.3513	4.6263	2.5262	3.0694	6.0536	4.9820	5.2224	1.7680		1.7714
H16	2.6789	4.0530	2.1547	4.9919	1.0921	2.9643	4.6515	4.2277	3.0709	2.4944	5.9800	5.2224	4.8446	1.7787	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.482	N1	C2	H7	112.750
N1	C2	H8	107.321	N1	C3	C5	110.482
N1	C3	H9	112.750	N1	C3	H10	107.321
C2	N1	C3	112.712	C2	N1	H6	108.345
C2	C4	H11	111.005	C2	C4	H12	110.877
C2	C4	H13	110.009	C3	N1	H6	108.345
C3	C5	H14	111.005	C3	C5	H15	110.877
C3	C5	H16	110.009	C4	C2	H7	110.028
C4	C2	H8	109.642	C5	C3	H8	150.764
C5	C3	H10	109.642	H7	C2	H8	106.471
H9	C3	H10	106.471	H11	C4	H12	107.757
H11	C4	H13	108.921	H12	C4	H13	108.185
H14	C5	H15	107.757	H14	C5	H16	108.921
H15	C5	H16	108.185

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)

using model chemistry: MP2/6-31G*

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(C2H5)2 (diethylamine)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)