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	hartrees
Energy at 0K	-213.178254
Energy at 298.15K	-213.190959
HF Energy	-212.329842
Nuclear repulsion energy	187.347837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3465	3351
2	A'	3152	3048
3	A'	3131	3028
4	A'	3066	2964
5	A'	3048	2947
6	A'	2948	2851
7	A'	1519	1469
8	A'	1491	1442
9	A'	1481	1432
10	A'	1430	1382
11	A'	1385	1339
12	A'	1319	1276
13	A'	1238	1197
14	A'	1165	1127
15	A'	1078	1043
16	A'	916	886
17	A'	826	799
18	A'	807	780
19	A'	427	413
20	A'	267	258
21	A'	184	178
22	A'	111	107
23	A"	3152	3048
24	A"	3131	3027
25	A"	3063	2962
26	A"	3047	2946
27	A"	2944	2847
28	A"	1510	1460
29	A"	1497	1447
30	A"	1488	1439
31	A"	1472	1423
32	A"	1405	1358
33	A"	1350	1305
34	A"	1278	1236
35	A"	1175	1136
36	A"	1109	1072
37	A"	1069	1033
38	A"	952	921
39	A"	803	777
40	A"	422	408
41	A"	266	257
42	A"	107	103

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.297	0.000
C2	0.018	0.521	1.218
C3	0.018	0.521	-1.218
C4	0.018	-0.371	2.462
C5	0.018	-0.371	-2.462
H6	-0.848	-0.851	0.000
H7	-0.841	1.235	1.262
H8	0.938	1.140	1.204
H9	-0.841	1.235	-1.262
H10	0.938	1.140	-1.204
H11	0.073	0.234	3.385
H12	-0.907	-0.979	2.510
H13	0.880	-1.062	2.433
H14	0.073	0.234	-3.385
H15	-0.907	-0.979	-2.510
H16	0.880	-1.062	-2.433

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4674	1.4674	2.4627	2.4627	1.0280	2.1633	2.0885	2.1633	2.0885	3.4271	2.7605	2.6923	3.4271	2.7605	2.6923
C2	1.4674		2.4363	1.5305	3.7864	2.0287	1.1181	1.1088	2.7205	2.6640	2.1867	2.1849	2.1740	4.6127	4.1236	4.0721
C3	1.4674	2.4363		3.7864	1.5305	2.0287	2.7205	2.6640	1.1181	1.1088	4.6127	4.1236	4.0721	2.1867	2.1849	2.1740
C4	2.4627	1.5305	3.7864		4.9231	2.6531	2.1813	2.1707	4.1457	4.0705	1.1057	1.1077	1.1049	5.8783	5.0931	5.0178
C5	2.4627	3.7864	1.5305	4.9231		2.6531	4.1457	4.0705	2.1813	2.1707	5.8783	5.0931	5.0178	1.1057	1.1077	1.1049
H6	1.0280	2.0287	2.0287	2.6531	2.6531		2.4381	2.9331	2.4381	2.9331	3.6720	2.5139	2.9918	3.6720	2.5139	2.9918
H7	2.1633	1.1181	2.7205	2.1813	4.1457	2.4381		1.7823	2.5246	3.0425	2.5188	2.5422	3.1003	4.8412	4.3745	4.6795
H8	2.0885	1.1088	2.6640	2.1707	4.0705	2.9331	1.7823		3.0425	2.4083	2.5155	3.0982	2.5231	4.7575	4.6570	4.2527
H9	2.1633	2.7205	1.1181	4.1457	2.1813	2.4381	2.5246	3.0425		1.7823	4.8412	4.3745	4.6795	2.5188	2.5422	3.1003
H10	2.0885	2.6640	1.1088	4.0705	2.1707	2.9331	3.0425	2.4083	1.7823		4.7575	4.6570	4.2527	2.5155	3.0982	2.5231
H11	3.4271	2.1867	4.6127	1.1057	5.8783	3.6720	2.5188	2.5155	4.8412	4.7575		1.7878	1.7995	6.7705	6.0978	6.0155
H12	2.7605	2.1849	4.1236	1.1077	5.0931	2.5139	2.5422	3.0982	4.3745	4.6570	1.7878		1.7904	6.0978	5.0198	5.2568
H13	2.6923	2.1740	4.0721	1.1049	5.0178	2.9918	3.1003	2.5231	4.6795	4.2527	1.7995	1.7904		6.0155	5.2568	4.8664
H14	3.4271	4.6127	2.1867	5.8783	1.1057	3.6720	4.8412	4.7575	2.5188	2.5155	6.7705	6.0978	6.0155		1.7878	1.7995
H15	2.7605	4.1236	2.1849	5.0931	1.1077	2.5139	4.3745	4.6570	2.5422	3.0982	6.0978	5.0198	5.2568	1.7878		1.7904
H16	2.6923	4.0721	2.1740	5.0178	1.1049	2.9918	4.6795	4.2527	3.1003	2.5231	6.0155	5.2568	4.8664	1.7995	1.7904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.446	N1	C2	H7	112.888
N1	C2	H8	107.511	N1	C3	C5	110.446
N1	C3	H9	112.888	N1	C3	H10	107.511
C2	N1	C3	112.232	C2	N1	H6	107.470
C2	C4	H11	111.069	C2	C4	H12	110.804
C2	C4	H13	110.111	C3	N1	H6	107.470
C3	C5	H14	111.069	C3	C5	H15	110.804
C3	C5	H16	110.111	C4	C2	H7	109.902
C4	C2	H8	109.628	C5	C3	H8	150.954
C5	C3	H10	109.628	H7	C2	H8	106.321
H9	C3	H10	106.321	H11	C4	H12	107.743
H11	C4	H13	108.990	H12	C4	H13	108.033
H14	C5	H15	107.743	H14	C5	H16	108.990
H15	C5	H16	108.033

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

using model chemistry: MP4/cc-pVDZ

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: MP4/cc-pVDZ

States and conformations

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