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	hartrees
Energy at 0K	-212.938882
Energy at 298.15K	-212.951791
HF Energy	-212.313755
Nuclear repulsion energy	189.120397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3620	3352	0.37
2	A'	3251	3009	50.18
3	A'	3228	2988	73.17
4	A'	3180	2944	49.36
5	A'	3157	2923	15.21
6	A'	3071	2843	153.61
7	A'	1629	1508	0.42
8	A'	1596	1477	2.89
9	A'	1587	1469	11.53
10	A'	1530	1416	2.78
11	A'	1487	1377	0.47
12	A'	1397	1293	4.71
13	A'	1310	1213	2.16
14	A'	1241	1149	17.71
15	A'	1126	1042	5.81
16	A'	955	884	8.56
17	A'	874	810	5.89
18	A'	827	766	78.14
19	A'	446	413	0.44
20	A'	275	255	1.48
21	A'	197	182	0.95
22	A'	119	110	1.64
23	A"	3251	3009	8.94
24	A"	3227	2988	20.15
25	A"	3175	2939	0.71
26	A"	3156	2922	30.50
27	A"	3065	2837	6.98
28	A"	1618	1497	6.78
29	A"	1604	1485	14.65
30	A"	1592	1474	7.34
31	A"	1575	1458	22.66
32	A"	1511	1398	12.30
33	A"	1445	1338	24.98
34	A"	1359	1258	3.10
35	A"	1239	1147	42.03
36	A"	1181	1094	8.07
37	A"	1129	1045	3.38
38	A"	999	925	0.25
39	A"	850	787	0.55
40	A"	449	416	0.56
41	A"	275	255	0.66
42	A"	116	107	1.25

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.279	0.000
C2	0.017	0.519	1.214
C3	0.017	0.519	-1.214
C4	0.017	-0.373	2.443
C5	0.017	-0.373	-2.443
H6	-0.800	-0.878	0.000
H7	-0.831	1.217	1.259
H8	0.920	1.131	1.208
H9	-0.831	1.217	-1.259
H10	0.920	1.131	-1.208
H11	0.054	0.220	3.356
H12	-0.885	-0.985	2.482
H13	0.876	-1.040	2.424
H14	0.054	0.220	-3.356
H15	-0.885	-0.985	-2.482
H16	0.876	-1.040	-2.424

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4530	1.4530	2.4452	2.4452	1.0125	2.1319	2.0646	2.1319	2.0646	3.3931	2.7341	2.6825	3.3931	2.7341	2.6825
C2	1.4530		2.4287	1.5187	3.7650	2.0227	1.0997	1.0911	2.7068	2.6565	2.1626	2.1643	2.1526	4.5802	4.0918	4.0509
C3	1.4530	2.4287		3.7650	1.5187	2.0227	2.7068	2.6565	1.0997	1.0911	4.5802	4.0918	4.0509	2.1626	2.1643	2.1526
C4	2.4452	1.5187	3.7650		4.8869	2.6252	2.1567	2.1459	4.1183	4.0509	1.0893	1.0908	1.0880	5.8298	5.0451	4.9880
C5	2.4452	3.7650	1.5187	4.8869		2.6252	4.1183	4.0509	2.1567	2.1459	5.8298	5.0451	4.9880	1.0893	1.0908	1.0880
H6	1.0125	2.0227	2.0227	2.6252	2.6252		2.4444	2.9070	2.4444	2.9070	3.6327	2.4863	2.9519	3.6327	2.4863	2.9519
H7	2.1319	1.0997	2.7068	2.1567	4.1183	2.4444		1.7544	2.5189	3.0269	2.4845	2.5199	3.0609	4.8041	4.3424	4.6458
H8	2.0646	1.0911	2.6565	2.1459	4.0509	2.9070	1.7544		3.0269	2.4156	2.4887	3.0597	2.4891	4.7336	4.6212	4.2318
H9	2.1319	2.7068	1.0997	4.1183	2.1567	2.4444	2.5189	3.0269		1.7544	4.8041	4.3424	4.6458	2.4845	2.5199	3.0609
H10	2.0646	2.6565	1.0911	4.0509	2.1459	2.9070	3.0269	2.4156	1.7544		4.7336	4.6212	4.2318	2.4887	3.0597	2.4891
H11	3.3931	2.1626	4.5802	1.0893	5.8298	3.6327	2.4845	2.4887	4.8041	4.7336		1.7603	1.7701	6.7119	6.0351	5.9732
H12	2.7341	2.1643	4.0918	1.0908	5.0451	2.4863	2.5199	3.0597	4.3424	4.6212	1.7603		1.7633	6.0351	4.9650	5.2138
H13	2.6825	2.1526	4.0509	1.0880	4.9880	2.9519	3.0609	2.4891	4.6458	4.2318	1.7701	1.7633		5.9732	5.2138	4.8489
H14	3.3931	4.5802	2.1626	5.8298	1.0893	3.6327	4.8041	4.7336	2.4845	2.4887	6.7119	6.0351	5.9732		1.7603	1.7701
H15	2.7341	4.0918	2.1643	5.0451	1.0908	2.4863	4.3424	4.6212	2.5199	3.0597	6.0351	4.9650	5.2138	1.7603		1.7633
H16	2.6825	4.0509	2.1526	4.9880	1.0880	2.9519	4.6458	4.2318	3.0609	2.4891	5.9732	5.2138	4.8489	1.7701	1.7633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.717	N1	C2	H7	112.523
N1	C2	H8	107.638	N1	C3	C5	110.717
N1	C3	H9	112.523	N1	C3	H10	107.638
C2	N1	C3	113.382	C2	N1	H6	108.938
C2	C4	H11	110.964	C2	C4	H12	111.011
C2	C4	H13	110.242	C3	N1	H6	108.938
C3	C5	H14	110.964	C3	C5	H15	111.011
C3	C5	H16	110.242	C4	C2	H7	109.870
C4	C2	H8	109.532	C5	C3	H8	150.833
C5	C3	H10	109.532	H7	C2	H8	106.413
H9	C3	H10	106.413	H11	C4	H12	107.691
H11	C4	H13	108.778	H12	C4	H13	108.056
H14	C5	H15	107.691	H14	C5	H16	108.778
H15	C5	H16	108.056

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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