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	hartrees
Energy at 0K	-213.247721
Energy at 298.15K	-213.260450
HF Energy	-212.387221
Nuclear repulsion energy	188.529919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3530	3372	0.49
2	A'	3149	3008	51.29
3	A'	3129	2989	76.77
4	A'	3083	2945	43.94
5	A'	3059	2922	14.88
6	A'	2976	2843	162.09
7	A'	1557	1487	0.61
8	A'	1527	1459	3.01
9	A'	1514	1446	10.45
10	A'	1467	1401	2.21
11	A'	1429	1365	0.67
12	A'	1344	1284	5.93
13	A'	1261	1204	1.26
14	A'	1193	1140	12.62
15	A'	1082	1033	6.09
16	A'	923	882	9.06
17	A'	845	807	6.90
18	A'	805	769	67.97
19	A'	431	412	0.27
20	A'	257	245	1.14
21	A'	188	179	0.61
22	A'	111	107	1.47
23	A"	3149	3008	9.79
24	A"	3129	2989	20.32
25	A"	3079	2941	0.88
26	A"	3058	2922	33.49
27	A"	2971	2838	9.36
28	A"	1544	1475	8.01
29	A"	1531	1462	9.66
30	A"	1523	1455	12.06
31	A"	1506	1438	15.93
32	A"	1444	1379	9.15
33	A"	1386	1324	22.35
34	A"	1304	1246	2.75
35	A"	1185	1132	40.99
36	A"	1137	1086	8.85
37	A"	1085	1037	0.86
38	A"	959	916	0.88
39	A"	824	787	0.40
40	A"	431	412	0.46
41	A"	257	245	0.54
42	A"	97	93	1.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.289	0.000
C2	0.017	0.517	1.217
C3	0.017	0.517	-1.217
C4	0.017	-0.369	2.455
C5	0.017	-0.369	-2.455
H6	-0.806	-0.883	0.000
H7	-0.838	1.213	1.256
H8	0.924	1.130	1.204
H9	-0.838	1.213	-1.256
H10	0.924	1.130	-1.204
H11	0.057	0.236	3.363
H12	-0.890	-0.978	2.497
H13	0.879	-1.039	2.438
H14	0.057	0.236	-3.363
H15	-0.890	-0.978	-2.497
H16	0.879	-1.039	-2.438

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4594	1.4594	2.4560	2.4560	1.0155	2.1358	2.0698	2.1358	2.0698	3.4043	2.7448	2.6926	3.4043	2.7448	2.6926
C2	1.4594		2.4336	1.5224	3.7769	2.0296	1.1029	1.0943	2.7071	2.6568	2.1653	2.1675	2.1576	4.5890	4.1051	4.0649
C3	1.4594	2.4336		3.7769	1.5224	2.0296	2.7071	2.6568	1.1029	1.0943	4.5890	4.1051	4.0649	2.1653	2.1675	2.1576
C4	2.4560	1.5224	3.7769		4.9094	2.6396	2.1611	2.1523	4.1230	4.0566	1.0923	1.0939	1.0912	5.8496	5.0709	5.0132
C5	2.4560	3.7769	1.5224	4.9094		2.6396	4.1230	4.0566	2.1611	2.1523	5.8496	5.0709	5.0132	1.0923	1.0939	1.0912
H6	1.0155	2.0296	2.0296	2.6396	2.6396		2.4432	2.9146	2.4432	2.9146	3.6482	2.5002	2.9677	3.6482	2.5002	2.9677
H7	2.1358	1.1029	2.7071	2.1611	4.1230	2.4432		1.7645	2.5114	3.0269	2.4894	2.5183	3.0682	4.8053	4.3455	4.6542
H8	2.0698	1.0943	2.6568	2.1523	4.0566	2.9146	1.7645		3.0269	2.4085	2.4926	3.0669	2.4959	4.7344	4.6297	4.2397
H9	2.1358	2.7071	1.1029	4.1230	2.1611	2.4432	2.5114	3.0269		1.7645	4.8053	4.3455	4.6542	2.4894	2.5183	3.0682
H10	2.0698	2.6568	1.0943	4.0566	2.1523	2.9146	3.0269	2.4085	1.7645		4.7344	4.6297	4.2397	2.4926	3.0669	2.4959
H11	3.4043	2.1653	4.5890	1.0923	5.8496	3.6482	2.4894	2.4926	4.8053	4.7344		1.7667	1.7764	6.7268	6.0593	5.9967
H12	2.7448	2.1675	4.1051	1.0939	5.0709	2.5002	2.5183	3.0669	4.3455	4.6297	1.7667		1.7709	6.0593	4.9940	5.2431
H13	2.6926	2.1576	4.0649	1.0912	5.0132	2.9677	3.0682	2.4959	4.6542	4.2397	1.7764	1.7709		5.9967	5.2431	4.8768
H14	3.4043	4.5890	2.1653	5.8496	1.0923	3.6482	4.8053	4.7344	2.4894	2.4926	6.7268	6.0593	5.9967		1.7667	1.7764
H15	2.7448	4.1051	2.1675	5.0709	1.0939	2.5002	4.3455	4.6297	2.5183	3.0669	6.0593	4.9940	5.2431	1.7667		1.7709
H16	2.6926	4.0649	2.1576	5.0132	1.0912	2.9677	4.6542	4.2397	3.0682	2.4959	5.9967	5.2431	4.8768	1.7764	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.889	N1	C2	H7	112.176
N1	C2	H8	107.433	N1	C3	C5	110.889
N1	C3	H9	112.176	N1	C3	H10	107.433
C2	N1	C3	112.973	C2	N1	H6	108.858
C2	C4	H11	110.742	C2	C4	H12	110.824
C2	C4	H13	110.198	C3	N1	H6	108.858
C3	C5	H14	110.742	C3	C5	H15	110.824
C3	C5	H16	110.198	C4	C2	H7	109.773
C4	C2	H8	109.592	C5	C3	H8	151.071
C5	C3	H10	109.592	H7	C2	H8	106.846
H9	C3	H10	106.846	H11	C4	H12	107.826
H11	C4	H13	108.894	H12	C4	H13	108.276
H14	C5	H15	107.826	H14	C5	H16	108.894
H15	C5	H16	108.276

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

using model chemistry: QCISD/TZVP

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: QCISD/TZVP

States and conformations

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