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	hartrees
Energy at 0K	-31.389544
Energy at 298.15K	-31.400262
Nuclear repulsion energy	79.959671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3712	3353	1.30
2	A'	3262	2947	116.09
3	A'	3238	2925	101.24
4	A'	3178	2871	7.35
5	A'	3113	2812	98.50
6	A'	1839	1661	48.80
7	A'	1638	1480	4.89
8	A'	1627	1470	2.66
9	A'	1555	1405	12.27
10	A'	1501	1356	22.87
11	A'	1300	1174	5.37
12	A'	1266	1144	30.68
13	A'	1066	963	5.54
14	A'	969	875	147.75
15	A'	865	781	0.36
16	A'	501	452	10.73
17	A'	385	347	0.12
18	A'	281	254	0.23
19	A"	3790	3424	0.47
20	A"	3253	2939	2.36
21	A"	3233	2921	34.72
22	A"	3171	2864	73.38
23	A"	1620	1464	0.04
24	A"	1617	1461	0.07
25	A"	1562	1411	13.72
26	A"	1508	1362	1.54
27	A"	1363	1232	0.05
28	A"	1112	1004	1.67
29	A"	1032	932	0.07
30	A"	1001	904	0.03
31	A"	424	383	7.29
32	A"	307	277	45.52
33	A"	227	205	8.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.361	0.000
N2	-1.400	-0.089	0.000
H3	0.070	1.454	0.000
C4	0.690	-0.158	1.267
C5	0.690	-0.158	-1.267
H6	-1.881	0.269	-0.805
H7	-1.881	0.269	0.805
H8	0.660	-1.244	1.297
H9	0.660	-1.244	-1.297
H10	1.728	0.163	1.302
H11	1.728	0.163	-1.302
H12	0.197	0.217	2.163
H13	0.197	0.217	-2.163

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4703	1.0947	1.5329	1.5329	2.0482	2.0482	2.1667	2.1667	2.1729	2.1729	2.1764	2.1764
N2	1.4703		2.1311	2.4443	2.4443	1.0042	1.0042	2.6939	2.6939	3.3974	3.3974	2.7058	2.7058
H3	1.0947	2.1311		2.1414	2.1414	2.4209	2.4209	3.0508	3.0508	2.4719	2.4719	2.4944	2.4944
C4	1.5329	2.4443	2.1414		2.5334	3.3292	2.6464	1.0868	2.7844	1.0877	2.7891	1.0890	3.4847
C5	1.5329	2.4443	2.1414	2.5334		2.6464	3.3292	2.7844	1.0868	2.7891	1.0877	3.4847	1.0890
H6	2.0482	1.0042	2.4209	3.3292	2.6464		1.6106	3.6282	2.9977	4.1808	3.6449	3.6237	2.4829
H7	2.0482	1.0042	2.4209	2.6464	3.3292	1.6106		2.9977	3.6282	3.6449	4.1808	2.4829	3.6237
H8	2.1667	2.6939	3.0508	1.0868	2.7844	3.6282	2.9977		2.5941	1.7666	3.1424	1.7602	3.7840
H9	2.1667	2.6939	3.0508	2.7844	1.0868	2.9977	3.6282	2.5941		3.1424	1.7666	3.7840	1.7602
H10	2.1729	3.3974	2.4719	1.0877	2.7891	4.1808	3.6449	1.7666	3.1424		2.6036	1.7573	3.7881
H11	2.1729	3.3974	2.4719	2.7891	1.0877	3.6449	4.1808	3.1424	1.7666	2.6036		3.7881	1.7573
H12	2.1764	2.7058	2.4944	1.0890	3.4847	3.6237	2.4829	1.7602	3.7840	1.7573	3.7881		4.3253
H13	2.1764	2.7058	2.4944	3.4847	1.0890	2.4829	3.6237	3.7840	1.7602	3.7881	1.7573	4.3253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.310	C1	N2	H7	110.310
C1	C4	H8	110.441	C1	C4	H10	110.881
C1	C4	H12	111.081	C1	C5	H9	110.441
C1	C5	H11	110.881	C1	C5	H13	111.081
N2	C1	H3	111.534	N2	C1	C4	108.935
N2	C1	C5	108.935	H3	C1	C4	108.005
H3	C1	C5	108.005	C4	C1	C5	111.443
H6	N2	H7	106.629	H8	C4	H10	108.668
H8	C4	H12	107.993	H9	C5	H11	108.668
H9	C5	H13	107.993	H10	C4	H12	107.668
H11	C5	H13	107.668

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

using model chemistry: HF/CEP-121G*

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	0.148
2	N	-0.789
3	H	0.119
4	C	-0.535
5	C	-0.535
6	H	0.321
7	H	0.321
8	H	0.166
9	H	0.166
10	H	0.156
11	H	0.156
12	H	0.154
13	H	0.154

	x	y	z	Total
	-0.053	1.484	0.000	1.485
CHELPG
AIM
ESP

	x	y	z
x	6.407	-0.010	0.000
y	-0.010	5.646	0.000
z	0.000	0.000	6.555

<r²>	81.132
(<r²>)^1/2	9.007

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

using model chemistry: HF/CEP-121G*

States and conformations

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