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	hartrees
Energy at 0K	-213.065251
Energy at 298.15K	-213.078036
HF Energy	-212.312380
Nuclear repulsion energy	188.127178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3477	3283	1.67
2	A'	3160	2984	46.06
3	A'	3138	2963	65.12
4	A'	3085	2913	49.51
5	A'	3068	2897	12.43
6	A'	2976	2810	143.93
7	A'	1582	1494	0.50
8	A'	1551	1464	2.84
9	A'	1542	1456	11.63
10	A'	1480	1398	3.01
11	A'	1440	1360	0.37
12	A'	1354	1279	4.29
13	A'	1276	1205	1.99
14	A'	1201	1134	13.93
15	A'	1097	1036	5.29
16	A'	935	883	13.59
17	A'	851	803	5.44
18	A'	814	768	68.23
19	A'	436	412	0.31
20	A'	268	253	1.38
21	A'	193	182	0.87
22	A'	116	110	1.52
23	A"	3160	2984	8.19
24	A"	3137	2962	18.25
25	A"	3081	2909	0.99
26	A"	3067	2896	28.54
27	A"	2971	2806	7.26
28	A"	1571	1484	4.01
29	A"	1555	1468	6.60
30	A"	1547	1461	8.46
31	A"	1525	1440	24.05
32	A"	1464	1382	12.35
33	A"	1398	1321	24.86
34	A"	1318	1244	3.30
35	A"	1197	1130	36.99
36	A"	1145	1081	8.43
37	A"	1098	1037	4.36
38	A"	972	918	0.25
39	A"	828	782	0.59
40	A"	438	413	0.66
41	A"	268	253	0.70
42	A"	113	106	1.26

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.290	0.000
C2	0.017	0.520	1.219
C3	0.017	0.520	-1.219
C4	0.017	-0.372	2.454
C5	0.017	-0.372	-2.454
H6	-0.824	-0.871	0.000
H7	-0.835	1.227	1.261
H8	0.930	1.133	1.206
H9	-0.835	1.227	-1.261
H10	0.930	1.133	-1.206
H11	0.061	0.228	3.372
H12	-0.894	-0.983	2.497
H13	0.880	-1.047	2.432
H14	0.061	0.228	-3.372
H15	-0.894	-0.983	-2.497
H16	0.880	-1.047	-2.432

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4631	1.4631	2.4558	2.4558	1.0228	2.1488	2.0765	2.1488	2.0765	3.4116	2.7473	2.6889	3.4116	2.7473	2.6889
C2	1.4631		2.4372	1.5241	3.7798	2.0317	1.1079	1.0990	2.7159	2.6624	2.1735	2.1739	2.1612	4.6000	4.1108	4.0650
C3	1.4631	2.4372		3.7798	1.5241	2.0317	2.7159	2.6624	1.1079	1.0990	4.6000	4.1108	4.0650	2.1735	2.1739	2.1612
C4	2.4558	1.5241	3.7798		4.9089	2.6423	2.1693	2.1574	4.1340	4.0619	1.0968	1.0983	1.0953	5.8573	5.0719	5.0074
C5	2.4558	3.7798	1.5241	4.9089		2.6423	4.1340	4.0619	2.1693	2.1574	5.8573	5.0719	5.0074	1.0968	1.0983	1.0953
H6	1.0228	2.0317	2.0317	2.6423	2.6423		2.4479	2.9235	2.4479	2.9235	3.6551	2.5008	2.9745	3.6551	2.5008	2.9745
H7	2.1488	1.1079	2.7159	2.1693	4.1340	2.4479		1.7674	2.5227	3.0349	2.5009	2.5333	3.0789	4.8236	4.3609	4.6636
H8	2.0765	1.0990	2.6624	2.1574	4.0619	2.9235	1.7674		3.0349	2.4128	2.5027	3.0774	2.5014	4.7471	4.6391	4.2417
H9	2.1488	2.7159	1.1079	4.1340	2.1693	2.4479	2.5227	3.0349		1.7674	4.8236	4.3609	4.6636	2.5009	2.5333	3.0789
H10	2.0765	2.6624	1.0990	4.0619	2.1574	2.9235	3.0349	2.4128	1.7674		4.7471	4.6391	4.2417	2.5027	3.0774	2.5014
H11	3.4116	2.1735	4.6000	1.0968	5.8573	3.6551	2.5009	2.5027	4.8236	4.7471		1.7729	1.7831	6.7437	6.0684	5.9981
H12	2.7473	2.1739	4.1108	1.0983	5.0719	2.5008	2.5333	3.0774	4.3609	4.6391	1.7729		1.7757	6.0684	4.9945	5.2387
H13	2.6889	2.1612	4.0650	1.0953	5.0074	2.9745	3.0789	2.5014	4.6636	4.2417	1.7831	1.7757		5.9981	5.2387	4.8635
H14	3.4116	4.6000	2.1735	5.8573	1.0968	3.6551	4.8236	4.7471	2.5009	2.5027	6.7437	6.0684	5.9981		1.7729	1.7831
H15	2.7473	4.1108	2.1739	5.0719	1.0983	2.5008	4.3609	4.6391	2.5333	3.0774	6.0684	4.9945	5.2387	1.7729		1.7757
H16	2.6889	4.0650	2.1612	5.0074	1.0953	2.9745	4.6636	4.2417	3.0789	2.5014	5.9981	5.2387	4.8635	1.7831	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.576	N1	C2	H7	112.664
N1	C2	H8	107.428	N1	C3	C5	110.576
N1	C3	H9	112.664	N1	C3	H10	107.428
C2	N1	C3	112.788	C2	N1	H6	108.329
C2	C4	H11	110.996	C2	C4	H12	110.948
C2	C4	H13	110.115	C3	N1	H6	108.329
C3	C5	H14	110.996	C3	C5	H15	110.948
C3	C5	H16	110.115	C4	C2	H7	110.005
C4	C2	H8	109.598	C5	C3	H8	150.848
C5	C3	H10	109.598	H7	C2	H8	106.421
H9	C3	H10	106.421	H11	C4	H12	107.737
H11	C4	H13	108.856	H12	C4	H13	108.096
H14	C5	H15	107.737	H14	C5	H16	108.856
H15	C5	H16	108.096

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

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

States and conformations

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