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	hartrees
Energy at 0K	-212.761339
Energy at 298.15K	-212.774010
HF Energy	-212.218113
Nuclear repulsion energy	185.837546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3458	3332	3.03
2	A'	3099	2986	56.11
3	A'	3074	2962	76.82
4	A'	3023	2913	51.59
5	A'	3006	2897	15.69
6	A'	2899	2793	165.88
7	A'	1583	1525	0.19
8	A'	1553	1496	2.81
9	A'	1543	1487	11.47
10	A'	1467	1413	4.09
11	A'	1450	1397	0.04
12	A'	1332	1284	2.59
13	A'	1271	1225	3.53
14	A'	1186	1143	9.67
15	A'	1064	1026	2.92
16	A'	915	882	7.34
17	A'	847	816	0.85
18	A'	726	699	113.28
19	A'	427	412	0.49
20	A'	256	247	1.59
21	A'	186	179	1.38
22	A'	103	99	1.98
23	A"	3099	2986	9.25
24	A"	3073	2961	23.87
25	A"	3020	2910	1.07
26	A"	3005	2896	31.57
27	A"	2894	2789	9.62
28	A"	1573	1516	1.36
29	A"	1556	1499	1.96
30	A"	1548	1492	12.14
31	A"	1529	1473	13.48
32	A"	1464	1410	9.91
33	A"	1399	1348	28.07
34	A"	1314	1267	3.90
35	A"	1165	1123	30.06
36	A"	1151	1109	27.05
37	A"	1088	1049	1.10
38	A"	953	919	0.82
39	A"	836	806	0.54
40	A"	430	415	0.68
41	A"	256	246	0.82
42	A"	108	104	1.55

Atom	x (Å)	y (Å)	z (Å)
N1	0.016	-0.264	0.000
C2	0.016	0.535	1.250
C3	0.016	0.535	-1.250
C4	0.016	-0.389	2.485
C5	0.016	-0.389	-2.485
H6	-0.747	-0.947	0.000
H7	-0.846	1.241	1.305
H8	0.931	1.153	1.244
H9	-0.846	1.241	-1.305
H10	0.931	1.153	-1.244
H11	0.065	0.199	3.416
H12	-0.903	-1.001	2.518
H13	0.882	-1.068	2.444
H14	0.065	0.199	-3.416
H15	-0.903	-1.001	-2.518
H16	0.882	-1.068	-2.444

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4831	1.4831	2.4879	2.4879	1.0244	2.1699	2.0962	2.1699	2.0962	3.4476	2.7801	2.7150	3.4476	2.7801	2.7150
C2	1.4831		2.4995	1.5425	3.8471	2.0835	1.1150	1.1045	2.7872	2.7278	2.1926	2.1939	2.1787	4.6781	4.1714	4.1189
C3	1.4831	2.4995		3.8471	1.5425	2.0835	2.7872	2.7278	1.1150	1.1045	4.6781	4.1714	4.1189	2.1926	2.1939	2.1787
C4	2.4879	1.5425	3.8471		4.9693	2.6584	2.1886	2.1807	4.2146	4.1381	1.1029	1.1047	1.1013	5.9302	5.1231	5.0501
C5	2.4879	3.8471	1.5425	4.9693		2.6584	4.2146	4.1381	2.1886	2.1807	5.9302	5.1231	5.0501	1.1029	1.1047	1.1013
H6	1.0244	2.0835	2.0835	2.6584	2.6584		2.5497	2.9626	2.5497	2.9626	3.6937	2.5234	2.9397	3.6937	2.5234	2.9397
H7	2.1699	1.1150	2.7872	2.1886	4.2146	2.5497		1.7799	2.6105	3.1089	2.5236	2.5495	3.1004	4.9197	4.4324	4.7300
H8	2.0962	1.1045	2.7278	2.1807	4.1381	2.9626	1.7799		3.1089	2.4889	2.5249	3.1030	2.5251	4.8353	4.7077	4.3061
H9	2.1699	2.7872	1.1150	4.2146	2.1886	2.5497	2.6105	3.1089		1.7799	4.9197	4.4324	4.7300	2.5236	2.5495	3.1004
H10	2.0962	2.7278	1.1045	4.1381	2.1807	2.9626	3.1089	2.4889	1.7799		4.8353	4.7077	4.3061	2.5249	3.1030	2.5251
H11	3.4476	2.1926	4.6781	1.1029	5.9302	3.6937	2.5236	2.5249	4.9197	4.8353		1.7848	1.7942	6.8320	6.1312	6.0510
H12	2.7801	2.1939	4.1714	1.1047	5.1231	2.5234	2.5495	3.1030	4.4324	4.7077	1.7848		1.7881	6.1312	5.0360	5.2739
H13	2.7150	2.1787	4.1189	1.1013	5.0501	2.9397	3.1004	2.5251	4.7300	4.3061	1.7942	1.7881		6.0510	5.2739	4.8882
H14	3.4476	4.6781	2.1926	5.9302	1.1029	3.6937	4.9197	4.8353	2.5236	2.5249	6.8320	6.1312	6.0510		1.7848	1.7942
H15	2.7801	4.1714	2.1939	5.1231	1.1047	2.5234	4.4324	4.7077	2.5495	3.1030	6.1312	5.0360	5.2739	1.7848		1.7881
H16	2.7150	4.1189	2.1787	5.0501	1.1013	2.9397	4.7300	4.3061	3.1004	2.5251	6.0510	5.2739	4.8882	1.7942	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.607	N1	C2	H7	112.503
N1	C2	H8	107.299	N1	C3	C5	110.607
N1	C3	H9	112.503	N1	C3	H10	107.299
C2	N1	C3	114.843	C2	N1	H6	111.062
C2	C4	H11	110.863	C2	C4	H12	110.858
C2	C4	H13	109.870	C3	N1	H6	111.062
C3	C5	H14	110.863	C3	C5	H15	110.858
C3	C5	H16	109.870	C4	C2	H7	109.842
C4	C2	H8	109.833	C5	C3	H8	150.208
C5	C3	H10	109.833	H7	C2	H8	106.628
H9	C3	H10	106.628	H11	C4	H12	107.898
H11	C4	H13	108.970	H12	C4	H13	108.310
H14	C5	H15	107.898	H14	C5	H16	108.970
H15	C5	H16	108.310

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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