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	hartrees
Energy at 0K	-213.052306
Energy at 298.15K	-213.065112
HF Energy	-212.312856
Nuclear repulsion energy	188.353535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3521	3305	0.90
2	A'	3197	3000	40.90
3	A'	3174	2979	59.72
4	A'	3118	2927	49.84
5	A'	3100	2910	10.96
6	A'	3009	2825	139.10
7	A'	1592	1494	0.76
8	A'	1560	1465	3.07
9	A'	1552	1456	12.60
10	A'	1489	1397	3.21
11	A'	1447	1358	0.49
12	A'	1362	1278	4.36
13	A'	1283	1204	2.07
14	A'	1209	1134	14.89
15	A'	1105	1037	5.37
16	A'	939	881	13.21
17	A'	855	803	5.53
18	A'	816	766	69.52
19	A'	438	411	0.33
20	A'	269	253	1.42
21	A'	193	181	0.90
22	A'	116	109	1.54
23	A"	3197	3000	7.82
24	A"	3174	2979	16.05
25	A"	3115	2924	0.96
26	A"	3100	2910	25.73
27	A"	3006	2821	6.99
28	A"	1581	1484	4.10
29	A"	1564	1468	6.00
30	A"	1557	1461	9.16
31	A"	1534	1440	26.26
32	A"	1471	1381	13.47
33	A"	1406	1320	22.84
34	A"	1325	1244	3.15
35	A"	1206	1132	37.62
36	A"	1152	1081	8.04
37	A"	1104	1036	4.59
38	A"	978	918	0.18
39	A"	832	781	0.61
40	A"	440	413	0.66
41	A"	269	252	0.70
42	A"	113	106	1.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.290	0.000
C2	0.017	0.520	1.217
C3	0.017	0.520	-1.217
C4	0.017	-0.371	2.453
C5	0.017	-0.371	-2.453
H6	-0.820	-0.872	0.000
H7	-0.833	1.225	1.259
H8	0.928	1.131	1.205
H9	-0.833	1.225	-1.259
H10	0.928	1.131	-1.205
H11	0.060	0.228	3.368
H12	-0.892	-0.981	2.495
H13	0.878	-1.044	2.430
H14	0.060	0.228	-3.368
H15	-0.892	-0.981	-2.495
H16	0.878	-1.044	-2.430

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4616	1.4616	2.4543	2.4543	1.0200	2.1452	2.0736	2.1452	2.0736	3.4074	2.7444	2.6862	3.4074	2.7444	2.6862
C2	1.4616		2.4342	1.5233	3.7765	2.0296	1.1055	1.0968	2.7114	2.6588	2.1705	2.1710	2.1583	4.5940	4.1062	4.0606
C3	1.4616	2.4342		3.7765	1.5233	2.0296	2.7114	2.6588	1.1055	1.0968	4.5940	4.1062	4.0606	2.1705	2.1710	2.1583
C4	2.4543	1.5233	3.7765		4.9058	2.6399	2.1668	2.1547	4.1289	4.0578	1.0944	1.0959	1.0930	5.8514	5.0679	5.0038
C5	2.4543	3.7765	1.5233	4.9058		2.6399	4.1289	4.0578	2.1668	2.1547	5.8514	5.0679	5.0038	1.0944	1.0959	1.0930
H6	1.0200	2.0296	2.0296	2.6399	2.6399		2.4458	2.9189	2.4458	2.9189	3.6506	2.4987	2.9696	3.6506	2.4987	2.9696
H7	2.1452	1.1055	2.7114	2.1668	4.1289	2.4458		1.7640	2.5181	3.0299	2.4973	2.5295	3.0737	4.8162	4.3549	4.6568
H8	2.0736	1.0968	2.6588	2.1547	4.0578	2.9189	1.7640		3.0299	2.4100	2.4987	3.0722	2.4973	4.7408	4.6331	4.2367
H9	2.1452	2.7114	1.1055	4.1289	2.1668	2.4458	2.5181	3.0299		1.7640	4.8162	4.3549	4.6568	2.4973	2.5295	3.0737
H10	2.0736	2.6588	1.0968	4.0578	2.1547	2.9189	3.0299	2.4100	1.7640		4.7408	4.6331	4.2367	2.4987	3.0722	2.4973
H11	3.4074	2.1705	4.5940	1.0944	5.8514	3.6506	2.4973	2.4987	4.8162	4.7408		1.7696	1.7797	6.7351	6.0616	5.9918
H12	2.7444	2.1710	4.1062	1.0959	5.0679	2.4987	2.5295	3.0722	4.3549	4.6331	1.7696		1.7722	6.0616	4.9906	5.2341
H13	2.6862	2.1583	4.0606	1.0930	5.0038	2.9696	3.0737	2.4973	4.6568	4.2367	1.7797	1.7722		5.9918	5.2341	4.8603
H14	3.4074	4.5940	2.1705	5.8514	1.0944	3.6506	4.8162	4.7408	2.4973	2.4987	6.7351	6.0616	5.9918		1.7696	1.7797
H15	2.7444	4.1062	2.1710	5.0679	1.0959	2.4987	4.3549	4.6331	2.5295	3.0722	6.0616	4.9906	5.2341	1.7696		1.7722
H16	2.6862	4.0606	2.1583	5.0038	1.0930	2.9696	4.6568	4.2367	3.0737	2.4973	5.9918	5.2341	4.8603	1.7797	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.600	N1	C2	H7	112.628
N1	C2	H8	107.438	N1	C3	C5	110.600
N1	C3	H9	112.628	N1	C3	H10	107.438
C2	N1	C3	112.756	C2	N1	H6	108.433
C2	C4	H11	110.963	C2	C4	H12	110.917
C2	C4	H13	110.073	C3	N1	H6	108.433
C3	C5	H14	110.963	C3	C5	H15	110.917
C3	C5	H16	110.073	C4	C2	H7	110.005
C4	C2	H8	109.572	C5	C3	H8	150.876
C5	C3	H10	109.572	H7	C2	H8	106.448
H9	C3	H10	106.448	H11	C4	H12	107.784
H11	C4	H13	108.896	H12	C4	H13	108.120
H14	C5	H15	107.784	H14	C5	H16	108.896
H15	C5	H16	108.120

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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