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	hartrees
Energy at 0K	-213.118246
Energy at 298.15K	-213.131071
HF Energy	-212.332555
Nuclear repulsion energy	189.078334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3570	3335	0.38
2	A'	3245	3032	37.10
3	A'	3223	3011	53.12
4	A'	3155	2948	52.86
5	A'	3132	2926	10.28
6	A'	3036	2837	144.16
7	A'	1588	1484	0.25
8	A'	1563	1460	2.19
9	A'	1554	1452	10.47
10	A'	1481	1384	2.98
11	A'	1441	1347	0.18
12	A'	1360	1270	4.10
13	A'	1278	1194	1.87
14	A'	1203	1124	11.94
15	A'	1101	1029	5.61
16	A'	934	873	9.98
17	A'	851	795	2.15
18	A'	808	755	75.35
19	A'	436	407	0.30
20	A'	275	257	1.23
21	A'	190	178	0.83
22	A'	116	108	1.35
23	A"	3245	3032	6.64
24	A"	3222	3011	14.14
25	A"	3153	2946	0.52
26	A"	3131	2926	27.14
27	A"	3033	2834	9.59
28	A"	1577	1474	2.88
29	A"	1561	1459	0.01
30	A"	1558	1456	7.38
31	A"	1514	1415	33.16
32	A"	1464	1368	9.83
33	A"	1398	1306	28.74
34	A"	1325	1238	2.93
35	A"	1202	1123	38.74
36	A"	1148	1073	8.12
37	A"	1102	1029	4.99
38	A"	977	913	0.25
39	A"	831	777	0.56
40	A"	437	408	0.59
41	A"	276	258	0.71
42	A"	113	105	1.22

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.288	0.000
C2	0.017	0.518	1.214
C3	0.017	0.518	-1.214
C4	0.017	-0.370	2.444
C5	0.017	-0.370	-2.444
H6	-0.819	-0.867	0.000
H7	-0.828	1.221	1.258
H8	0.924	1.126	1.201
H9	-0.828	1.221	-1.258
H10	0.924	1.126	-1.201
H11	0.062	0.223	3.355
H12	-0.888	-0.975	2.485
H13	0.872	-1.041	2.419
H14	0.062	0.223	-3.355
H15	-0.888	-0.975	-2.485
H16	0.872	-1.041	-2.419

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4575	1.4575	2.4453	2.4453	1.0164	2.1392	2.0652	2.1392	2.0652	3.3938	2.7322	2.6734	3.3938	2.7322	2.6734
C2	1.4575		2.4278	1.5175	3.7643	2.0224	1.1004	1.0914	2.7056	2.6500	2.1615	2.1597	2.1480	4.5783	4.0901	4.0445
C3	1.4575	2.4278		3.7643	1.5175	2.0224	2.7056	2.6500	1.1004	1.0914	4.5783	4.0901	4.0445	2.1615	2.1597	2.1480
C4	2.4453	1.5175	3.7643		4.8879	2.6302	2.1572	2.1463	4.1175	4.0431	1.0882	1.0894	1.0867	5.8292	5.0475	4.9826
C5	2.4453	3.7643	1.5175	4.8879		2.6302	4.1175	4.0431	2.1572	2.1463	5.8292	5.0475	4.9826	1.0882	1.0894	1.0867
H6	1.0164	2.0224	2.0224	2.6302	2.6302		2.4374	2.9068	2.4374	2.9068	3.6355	2.4881	2.9561	3.6355	2.4881	2.9561
H7	2.1392	1.1004	2.7056	2.1572	4.1175	2.4374		1.7554	2.5163	3.0208	2.4865	2.5159	3.0586	4.8027	4.3399	4.6398
H8	2.0652	1.0914	2.6500	2.1463	4.0431	2.9068	1.7554		3.0208	2.4018	2.4894	3.0571	2.4868	4.7235	4.6132	4.2193
H9	2.1392	2.7056	1.1004	4.1175	2.1572	2.4374	2.5163	3.0208		1.7554	4.8027	4.3399	4.6398	2.4865	2.5159	3.0586
H10	2.0652	2.6500	1.0914	4.0431	2.1463	2.9068	3.0208	2.4018	1.7554		4.7235	4.6132	4.2193	2.4894	3.0571	2.4868
H11	3.3938	2.1615	4.5783	1.0882	5.8292	3.6355	2.4865	2.4894	4.8027	4.7235		1.7592	1.7698	6.7094	6.0363	5.9656
H12	2.7322	2.1597	4.0901	1.0894	5.0475	2.4881	2.5159	3.0571	4.3399	4.6132	1.7592		1.7625	6.0363	4.9695	5.2102
H13	2.6734	2.1480	4.0445	1.0867	4.9826	2.9561	3.0586	2.4868	4.6398	4.2193	1.7698	1.7625		5.9656	5.2102	4.8374
H14	3.3938	4.5783	2.1615	5.8292	1.0882	3.6355	4.8027	4.7235	2.4865	2.4894	6.7094	6.0363	5.9656		1.7592	1.7698
H15	2.7322	4.0901	2.1597	5.0475	1.0894	2.4881	4.3399	4.6132	2.5159	3.0571	6.0363	4.9695	5.2102	1.7592		1.7625
H16	2.6734	4.0445	2.1480	4.9826	1.0867	2.9561	4.6398	4.2193	3.0586	2.4868	5.9656	5.2102	4.8374	1.7698	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.547	N1	C2	H7	112.765
N1	C2	H8	107.363	N1	C3	C5	110.547
N1	C3	H9	112.765	N1	C3	H10	107.363
C2	N1	C3	112.789	C2	N1	H6	108.351
C2	C4	H11	111.028	C2	C4	H12	110.809
C2	C4	H13	110.040	C3	N1	H6	108.351
C3	C5	H14	111.028	C3	C5	H15	110.809
C3	C5	H16	110.040	C4	C2	H7	109.960
C4	C2	H8	109.628	C5	C3	H8	150.812
C5	C3	H10	109.628	H7	C2	H8	106.430
H9	C3	H10	106.430	H11	C4	H12	107.777
H11	C4	H13	108.927	H12	C4	H13	108.174
H14	C5	H15	107.777	H14	C5	H16	108.927
H15	C5	H16	108.174

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

using model chemistry: MP2=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(C2H5)2 (diethylamine)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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