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	hartrees
Energy at 0K	-173.240642
Energy at 298.15K	-173.251252
Nuclear repulsion energy	135.502621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3779	3403	0.18
2	A'	3296	2968	118.54
3	A'	3268	2943	103.14
4	A'	3195	2876	10.66
5	A'	3130	2818	107.35
6	A'	1832	1650	57.41
7	A'	1656	1491	11.88
8	A'	1645	1481	5.97
9	A'	1569	1413	15.14
10	A'	1518	1367	33.34
11	A'	1328	1196	14.88
12	A'	1280	1152	19.50
13	A'	1078	971	9.00
14	A'	875	788	1.72
15	A'	697	627	270.09
16	A'	510	459	26.46
17	A'	391	352	0.31
18	A'	280	252	0.20
19	A"	3902	3513	2.43
20	A"	3287	2960	2.17
21	A"	3263	2938	33.12
22	A"	3187	2870	83.83
23	A"	1638	1475	0.61
24	A"	1635	1472	2.07
25	A"	1557	1402	23.02
26	A"	1542	1388	2.38
27	A"	1360	1224	3.50
28	A"	1107	997	0.12
29	A"	1059	953	0.09
30	A"	1031	928	0.59
31	A"	429	386	5.05
32	A"	275	248	36.61
33	A"	223	201	17.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.372	0.000
N2	-1.395	-0.086	0.000
H3	0.060	1.463	0.000
C4	0.695	-0.140	1.267
C5	0.695	-0.140	-1.267
H6	-1.915	0.101	-0.832
H7	-1.915	0.101	0.832
H8	0.676	-1.223	1.289
H9	0.676	-1.223	-1.289
H10	1.727	0.193	1.303
H11	1.727	0.193	-1.303
H12	0.196	0.225	2.160
H13	0.196	0.225	-2.160

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4685	1.0920	1.5333	1.5333	2.1055	2.1055	2.1597	2.1597	2.1706	2.1706	2.1744	2.1744
N2	1.4685		2.1250	2.4447	2.4447	0.9987	0.9987	2.6916	2.6916	3.3944	3.3944	2.7012	2.7012
H3	1.0920	2.1250		2.1395	2.1395	2.5392	2.5392	3.0422	3.0422	2.4671	2.4671	2.4937	2.4937
C4	1.5333	2.4447	2.1395		2.5342	3.3579	2.6568	1.0836	2.7761	1.0850	2.7897	1.0863	3.4829
C5	1.5333	2.4447	2.1395	2.5342		2.6568	3.3579	2.7761	1.0836	2.7897	1.0850	3.4829	1.0863
H6	2.1055	0.9987	2.5392	3.3579	2.6568		1.6641	3.6007	2.9454	4.2225	3.6731	3.6643	2.4973
H7	2.1055	0.9987	2.5392	2.6568	3.3579	1.6641		2.9454	3.6007	3.6731	4.2225	2.4973	3.6643
H8	2.1597	2.6916	3.0422	1.0836	2.7761	3.6007	2.9454		2.5778	1.7639	3.1353	1.7570	3.7717
H9	2.1597	2.6916	3.0422	2.7761	1.0836	2.9454	3.6007	2.5778		3.1353	1.7639	3.7717	1.7570
H10	2.1706	3.3944	2.4671	1.0850	2.7897	4.2225	3.6731	1.7639	3.1353		2.6064	1.7546	3.7869
H11	2.1706	3.3944	2.4671	2.7897	1.0850	3.6731	4.2225	3.1353	1.7639	2.6064		3.7869	1.7546
H12	2.1744	2.7012	2.4937	1.0863	3.4829	3.6643	2.4973	1.7570	3.7717	1.7546	3.7869		4.3210
H13	2.1744	2.7012	2.4937	3.4829	1.0863	2.4973	3.6643	3.7717	1.7570	3.7869	1.7546	4.3210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	115.861	C1	N2	H7	115.861
C1	C4	H8	110.050	C1	C4	H10	110.837
C1	C4	H12	111.058	C1	C5	H9	110.050
C1	C5	H11	110.837	C1	C5	H13	111.058
N2	C1	H3	111.337	N2	C1	C4	109.040
N2	C1	C5	109.040	H3	C1	C4	107.986
H3	C1	C5	107.986	C4	C1	C5	111.463
H6	N2	H7	112.842	H8	C4	H10	108.856
H8	C4	H12	108.137	H9	C5	H11	108.856
H9	C5	H13	108.137	H10	C4	H12	107.817
H11	C5	H13	107.817

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

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	C	0.087
2	N	-0.774
3	H	0.142
4	C	-0.558
5	C	-0.558
6	H	0.304
7	H	0.304
8	H	0.192
9	H	0.192
10	H	0.166
11	H	0.166
12	H	0.168
13	H	0.168

	x	y	z	Total
	-0.154	1.261	0.000	1.270
CHELPG
AIM
ESP

	x	y	z
x	5.792	0.112	0.000
y	0.112	4.847	0.000
z	0.000	0.000	5.921

<r²>	93.777
(<r²>)^1/2	9.684

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

using model chemistry: HF/SDD

States and conformations

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