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	hartrees
Energy at 0K	-173.350726
Energy at 298.15K	-173.361480
HF Energy	-173.350726
Nuclear repulsion energy	136.191360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3722	3382	0.02
2	A'	3239	2943	89.82
3	A'	3218	2924	77.49
4	A'	3164	2875	5.15
5	A'	3088	2806	80.56
6	A'	1799	1635	43.83
7	A'	1627	1479	5.55
8	A'	1616	1468	4.05
9	A'	1546	1405	15.21
10	A'	1505	1367	21.79
11	A'	1302	1183	7.33
12	A'	1263	1148	22.58
13	A'	1064	966	6.16
14	A'	920	836	148.77
15	A'	866	787	1.59
16	A'	508	462	11.39
17	A'	390	354	0.13
18	A'	286	259	0.22
19	A"	3801	3454	0.42
20	A"	3230	2935	1.33
21	A"	3214	2920	27.79
22	A"	3158	2869	56.96
23	A"	1610	1463	0.13
24	A"	1605	1459	0.07
25	A"	1551	1409	16.43
26	A"	1508	1370	0.35
27	A"	1362	1237	0.38
28	A"	1108	1007	1.47
29	A"	1033	939	0.07
30	A"	1007	915	0.00
31	A"	432	392	7.19
32	A"	304	276	38.49
33	A"	232	210	8.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.288	0.214	0.000
N2	-0.897	1.064	0.000
H3	1.205	0.808	0.000
C4	0.288	-0.643	1.260
C5	0.288	-0.643	-1.260
H6	-0.921	1.654	-0.806
H7	-0.921	1.654	0.806
H8	-0.595	-1.271	1.290
H9	-0.595	-1.271	-1.290
H10	1.168	-1.277	1.295
H11	1.168	-1.277	-1.295
H12	0.291	-0.023	2.152
H13	0.291	-0.023	-2.152

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4590	1.0921	1.5234	1.5234	2.0461	2.0461	2.1563	2.1563	2.1619	2.1619	2.1648	2.1648
N2	1.4590		2.1180	2.4303	2.4303	0.9994	0.9994	2.6851	2.6851	3.3799	3.3799	2.6879	2.6879
H3	1.0921	2.1180		2.1285	2.1285	2.4262	2.4262	3.0372	3.0372	2.4544	2.4544	2.4811	2.4811
C4	1.5234	2.4303	2.1285		2.5193	3.3176	2.6349	1.0844	2.7705	1.0849	2.7754	1.0860	3.4672
C5	1.5234	2.4303	2.1285	2.5193		2.6349	3.3176	2.7705	1.0844	2.7754	1.0849	3.4672	1.0860
H6	2.0461	0.9994	2.4262	3.3176	2.6349		1.6129	3.6136	2.9827	4.1678	3.6321	3.6102	2.4682
H7	2.0461	0.9994	2.4262	2.6349	3.3176	1.6129		2.9827	3.6136	3.6321	4.1678	2.4682	3.6102
H8	2.1563	2.6851	3.0372	1.0844	2.7705	3.6136	2.9827		2.5800	1.7627	3.1289	1.7563	3.7666
H9	2.1563	2.6851	3.0372	2.7705	1.0844	2.9827	3.6136	2.5800		3.1289	1.7627	3.7666	1.7563
H10	2.1619	3.3799	2.4544	1.0849	2.7754	4.1678	3.6321	1.7627	3.1289		2.5903	1.7533	3.7711
H11	2.1619	3.3799	2.4544	2.7754	1.0849	3.6321	4.1678	3.1289	1.7627	2.5903		3.7711	1.7533
H12	2.1648	2.6879	2.4811	1.0860	3.4672	3.6102	2.4682	1.7563	3.7666	1.7533	3.7711		4.3035
H13	2.1648	2.6879	2.4811	3.4672	1.0860	2.4682	3.6102	3.7666	1.7563	3.7711	1.7533	4.3035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.292	C1	N2	H7	111.292
C1	C4	H8	110.426	C1	C4	H10	110.844
C1	C4	H12	111.008	C1	C5	H9	110.426
C1	C5	H11	110.844	C1	C5	H13	111.008
N2	C1	H3	111.430	N2	C1	C4	109.132
N2	C1	C5	109.132	H3	C1	C4	107.797
H3	C1	C5	107.797	C4	C1	C5	111.563
H6	N2	H7	107.597	H8	C4	H10	108.696
H8	C4	H12	108.033	H9	C5	H11	108.696
H9	C5	H13	108.033	H10	C4	H12	107.731
H11	C5	H13	107.731

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)

using model chemistry: HF/TZVP

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	C	0.120
2	N	-0.458
3	H	0.052
4	C	-0.279
5	C	-0.279
6	H	0.186
7	H	0.186
8	H	0.088
9	H	0.088
10	H	0.076
11	H	0.076
12	H	0.073
13	H	0.073

	x	y	z	Total
	1.071	0.856	0.000	1.371
CHELPG
AIM
ESP

	x	y	z
x	6.072	-0.361	0.000
y	-0.361	6.310	0.000
z	0.000	0.000	6.681

<r²>	92.989
(<r²>)^1/2	9.643

All results from a given calculation for CH3CH(NH2)CH3 (2-Propanamine)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)