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	hartrees
Energy at 0K	-212.251830
Energy at 298.15K	-212.264704
HF Energy	-212.251830
Nuclear repulsion energy	187.892227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3408	0.07
2	A'	3294	2966	111.64
3	A'	3271	2945	163.33
4	A'	3237	2915	47.08
5	A'	3193	2875	32.48
6	A'	3125	2813	235.09
7	A'	1683	1515	1.44
8	A'	1651	1486	5.50
9	A'	1641	1477	16.56
10	A'	1570	1414	3.45
11	A'	1553	1399	2.29
12	A'	1429	1287	3.30
13	A'	1338	1205	6.16
14	A'	1279	1152	22.45
15	A'	1143	1029	6.58
16	A'	963	867	0.76
17	A'	906	815	1.34
18	A'	692	623	142.51
19	A'	445	401	2.27
20	A'	267	241	2.12
21	A'	196	176	2.36
22	A'	109	98	2.59
23	A"	3294	2966	12.84
24	A"	3269	2944	48.25
25	A"	3231	2909	0.49
26	A"	3192	2874	64.60
27	A"	3116	2805	7.71
28	A"	1673	1506	2.04
29	A"	1657	1492	13.89
30	A"	1647	1483	14.04
31	A"	1631	1469	21.33
32	A"	1563	1408	18.59
33	A"	1501	1352	17.28
34	A"	1406	1266	3.48
35	A"	1274	1147	64.60
36	A"	1237	1114	8.73
37	A"	1166	1050	0.74
38	A"	1018	917	0.58
39	A"	889	801	0.59
40	A"	455	410	0.47
41	A"	265	239	0.50
42	A"	106	95	1.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.014	-0.241	0.000
C2	0.014	0.532	1.243
C3	0.014	0.532	-1.243
C4	0.014	-0.391	2.464
C5	0.014	-0.391	-2.464
H6	-0.659	-0.983	0.000
H7	-0.840	1.212	1.299
H8	0.907	1.148	1.254
H9	-0.840	1.212	-1.299
H10	0.907	1.148	-1.254
H11	0.038	0.186	3.383
H12	-0.878	-1.011	2.485
H13	0.879	-1.043	2.443
H14	0.038	0.186	-3.383
H15	-0.878	-1.011	-2.485
H16	0.879	-1.043	-2.443

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4637	1.4637	2.4688	2.4688	1.0012	2.1284	2.0733	2.1284	2.0733	3.4096	2.7502	2.7124	3.4096	2.7502	2.7124
C2	1.4637		2.4860	1.5305	3.8203	2.0713	1.0939	1.0845	2.7667	2.7225	2.1675	2.1720	2.1603	4.6386	4.1320	4.1002
C3	1.4637	2.4860		3.8203	1.5305	2.0713	2.7667	2.7225	1.0939	1.0845	4.6386	4.1320	4.1002	2.1675	2.1720	2.1603
C4	2.4688	1.5305	3.8203		4.9286	2.6221	2.1583	2.1514	4.1788	4.1220	1.0849	1.0865	1.0831	5.8754	5.0672	5.0251
C5	2.4688	3.8203	1.5305	4.9286		2.6221	4.1788	4.1220	2.1583	2.1514	5.8754	5.0672	5.0251	1.0849	1.0865	1.0831
H6	1.0012	2.0713	2.0713	2.6221	2.6221		2.5568	2.9260	2.5568	2.9260	3.6460	2.4950	2.8868	3.6460	2.4950	2.8868
H7	2.1284	1.0939	2.7667	2.1583	4.1788	2.5568		1.7486	2.5978	3.0941	2.4832	2.5200	3.0578	4.8725	4.3889	4.6949
H8	2.0733	1.0845	2.7225	2.1514	4.1220	2.9260	1.7486		3.0941	2.5083	2.4919	3.0592	2.4929	4.8145	4.6718	4.2975
H9	2.1284	2.7667	1.0939	4.1788	2.1583	2.5568	2.5978	3.0941		1.7486	4.8725	4.3889	4.6949	2.4832	2.5200	3.0578
H10	2.0733	2.7225	1.0845	4.1220	2.1514	2.9260	3.0941	2.5083	1.7486		4.8145	4.6718	4.2975	2.4919	3.0592	2.4929
H11	3.4096	2.1675	4.6386	1.0849	5.8754	3.6460	2.4832	2.4919	4.8725	4.8145		1.7541	1.7612	6.7653	6.0582	6.0127
H12	2.7502	2.1720	4.1320	1.0865	5.0672	2.4950	2.5200	3.0592	4.3889	4.6718	1.7541		1.7572	6.0582	4.9703	5.2316
H13	2.7124	2.1603	4.1002	1.0831	5.0251	2.8868	3.0578	2.4929	4.6949	4.2975	1.7612	1.7572		6.0127	5.2316	4.8854
H14	3.4096	4.6386	2.1675	5.8754	1.0849	3.6460	4.8725	4.8145	2.4832	2.4919	6.7653	6.0582	6.0127		1.7541	1.7612
H15	2.7502	4.1320	2.1720	5.0672	1.0865	2.4950	4.3889	4.6718	2.5200	3.0592	6.0582	4.9703	5.2316	1.7541		1.7572
H16	2.7124	4.1002	2.1603	5.0251	1.0831	2.8868	4.6949	4.2975	3.0578	2.4929	6.0127	5.2316	4.8854	1.7612	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.063	N1	C2	H7	111.839
N1	C2	H8	107.984	N1	C3	C5	111.063
N1	C3	H9	111.839	N1	C3	H10	107.984
C2	N1	C3	116.257	C2	N1	H6	113.013
C2	C4	H11	110.785	C2	C4	H12	111.049
C2	C4	H13	110.314	C3	N1	H6	113.013
C3	C5	H14	110.785	C3	C5	H15	111.049
C3	C5	H16	110.314	C4	C2	H7	109.530
C4	C2	H8	109.526	C5	C3	H8	150.265
C5	C3	H10	109.526	H7	C2	H8	106.775
H9	C3	H10	106.775	H11	C4	H12	107.770
H11	C4	H13	108.650	H12	C4	H13	108.176
H14	C5	H15	107.770	H14	C5	H16	108.650
H15	C5	H16	108.176

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

using model chemistry: HF/SDD

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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Number	Element	Mulliken
1	N	-0.527
2	C	-0.144
3	C	-0.144
4	C	-0.576
5	C	-0.576
6	H	0.282
7	H	0.141
8	H	0.172
9	H	0.141
10	H	0.172
11	H	0.173
12	H	0.162
13	H	0.195
14	H	0.173
15	H	0.162
16	H	0.195

	x	y	z	Total
	-0.995	0.468	0.000	1.100
CHELPG
AIM
ESP

	x	y	z
x	6.250	0.171	0.000
y	0.171	6.663	0.000
z	0.000	0.000	8.164

<r²>	189.284
(<r²>)^1/2	13.758

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

using model chemistry: HF/SDD

States and conformations

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