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	hartrees
Energy at 0K	-213.192642
Energy at 298.15K	-213.205354
HF Energy	-212.330056
Nuclear repulsion energy	187.441975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3466	3338
2	A'	3148	3032
3	A'	3127	3012
4	A'	3063	2951
5	A'	3046	2934
6	A'	2948	2840
7	A'	1520	1464
8	A'	1492	1437
9	A'	1482	1427
10	A'	1432	1380
11	A'	1387	1336
12	A'	1321	1272
13	A'	1238	1192
14	A'	1167	1124
15	A'	1080	1040
16	A'	917	883
17	A'	827	797
18	A'	806	777
19	A'	428	412
20	A'	267	257
21	A'	185	178
22	A'	111	107
23	A"	3148	3032
24	A"	3126	3011
25	A"	3060	2947
26	A"	3045	2933
27	A"	2944	2835
28	A"	1512	1456
29	A"	1500	1444
30	A"	1489	1434
31	A"	1474	1419
32	A"	1407	1355
33	A"	1352	1303
34	A"	1279	1232
35	A"	1177	1134
36	A"	1110	1069
37	A"	1070	1030
38	A"	953	918
39	A"	803	774
40	A"	423	407
41	A"	266	256
42	A"	107	103

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.296	0.000
C2	0.018	0.521	1.218
C3	0.018	0.521	-1.218
C4	0.018	-0.371	2.460
C5	0.018	-0.371	-2.460
H6	-0.846	-0.852	0.000
H7	-0.841	1.234	1.262
H8	0.937	1.140	1.205
H9	-0.841	1.234	-1.262
H10	0.937	1.140	-1.205
H11	0.072	0.233	3.384
H12	-0.906	-0.979	2.509
H13	0.880	-1.062	2.433
H14	0.072	0.233	-3.384
H15	-0.906	-0.979	-2.509
H16	0.880	-1.062	-2.433

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4664	1.4664	2.4615	2.4615	1.0273	2.1616	2.0877	2.1616	2.0877	3.4253	2.7593	2.6918	3.4253	2.7593	2.6918
C2	1.4664		2.4354	1.5298	3.7848	2.0281	1.1173	1.1081	2.7195	2.6639	2.1856	2.1841	2.1731	4.6107	4.1218	4.0708
C3	1.4664	2.4354		3.7848	1.5298	2.0281	2.7195	2.6639	1.1173	1.1081	4.6107	4.1218	4.0708	2.1856	2.1841	2.1731
C4	2.4615	1.5298	3.7848		4.9208	2.6516	2.1798	2.1692	4.1440	4.0697	1.1051	1.1072	1.1043	5.8755	5.0906	5.0159
C5	2.4615	3.7848	1.5298	4.9208		2.6516	4.1440	4.0697	2.1798	2.1692	5.8755	5.0906	5.0159	1.1051	1.1072	1.1043
H6	1.0273	2.0281	2.0281	2.6516	2.6516		2.4379	2.9321	2.4379	2.9321	3.6701	2.5125	2.9900	3.6701	2.5125	2.9900
H7	2.1616	1.1173	2.7195	2.1798	4.1440	2.4379		1.7811	2.5242	3.0421	2.5171	2.5410	3.0985	4.8392	4.3728	4.6778
H8	2.0877	1.1081	2.6639	2.1692	4.0697	2.9321	1.7811		3.0421	2.4096	2.5135	3.0964	2.5216	4.7565	4.6559	4.2522
H9	2.1616	2.7195	1.1173	4.1440	2.1798	2.4379	2.5242	3.0421		1.7811	4.8392	4.3728	4.6778	2.5171	2.5410	3.0985
H10	2.0877	2.6639	1.1081	4.0697	2.1692	2.9321	3.0421	2.4096	1.7811		4.7565	4.6559	4.2522	2.5135	3.0964	2.5216
H11	3.4253	2.1856	4.6107	1.1051	5.8755	3.6701	2.5171	2.5135	4.8392	4.7565		1.7868	1.7985	6.7674	6.0947	6.0132
H12	2.7593	2.1841	4.1218	1.1072	5.0906	2.5125	2.5410	3.0964	4.3728	4.6559	1.7868		1.7893	6.0947	5.0172	5.2546
H13	2.6918	2.1731	4.0708	1.1043	5.0159	2.9900	3.0985	2.5216	4.6778	4.2522	1.7985	1.7893		6.0132	5.2546	4.8651
H14	3.4253	4.6107	2.1856	5.8755	1.1051	3.6701	4.8392	4.7565	2.5171	2.5135	6.7674	6.0947	6.0132		1.7868	1.7985
H15	2.7593	4.1218	2.1841	5.0906	1.1072	2.5125	4.3728	4.6559	2.5410	3.0964	6.0947	5.0172	5.2546	1.7868		1.7893
H16	2.6918	4.0708	2.1731	5.0159	1.1043	2.9900	4.6778	4.2522	3.0985	2.5216	6.0132	5.2546	4.8651	1.7985	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.463	N1	C2	H7	112.876
N1	C2	H8	107.555	N1	C3	C5	110.463
N1	C3	H9	112.876	N1	C3	H10	107.555
C2	N1	C3	112.283	C2	N1	H6	107.528
C2	C4	H11	111.065	C2	C4	H12	110.821
C2	C4	H13	110.129	C3	N1	H6	107.528
C3	C5	H14	111.065	C3	C5	H15	110.821
C3	C5	H16	110.129	C4	C2	H7	109.886
C4	C2	H8	109.594	C5	C3	H8	150.957
C5	C3	H10	109.594	H7	C2	H8	106.321
H9	C3	H10	106.321	H11	C4	H12	107.741
H11	C4	H13	108.976	H12	C4	H13	108.017
H14	C5	H15	107.741	H14	C5	H16	108.976
H15	C5	H16	108.017

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVDZ

States and conformations

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