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	hartrees
Energy at 0K	-173.534755
Energy at 298.15K	-173.545177
Nuclear repulsion energy	134.788414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3378	3250	6.34
2	A'	3136	3017	48.88
3	A'	3107	2989	46.38
4	A'	3048	2932	2.17
5	A'	2925	2814	86.82
6	A'	1715	1649	21.49
7	A'	1578	1518	7.76
8	A'	1559	1500	5.47
9	A'	1459	1404	10.95
10	A'	1394	1341	30.58
11	A'	1231	1184	8.44
12	A'	1163	1119	6.38
13	A'	998	960	3.97
14	A'	815	784	2.32
15	A'	719	692	172.59
16	A'	470	452	16.41
17	A'	369	355	0.32
18	A'	262	252	0.22
19	A"	3475	3343	3.00
20	A"	3129	3010	0.88
21	A"	3103	2985	15.47
22	A"	3043	2928	40.76
23	A"	1556	1497	0.20
24	A"	1550	1491	1.60
25	A"	1443	1388	4.69
26	A"	1425	1371	15.77
27	A"	1288	1239	0.00
28	A"	1044	1004	1.80
29	A"	987	950	0.31
30	A"	959	923	0.31
31	A"	398	383	6.60
32	A"	288	277	47.25
33	A"	220	212	7.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.389	0.000
N2	-1.395	-0.121	0.000
H3	0.069	1.494	0.000
C4	0.695	-0.141	1.266
C5	0.695	-0.141	-1.266
H6	-1.906	0.181	-0.836
H7	-1.906	0.181	0.836
H8	0.633	-1.234	1.271
H9	0.633	-1.234	-1.271
H10	1.746	0.168	1.291
H11	1.746	0.168	-1.291
H12	0.202	0.239	2.169
H13	0.202	0.239	-2.169

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4852	1.1067	1.5388	1.5388	2.0920	2.0920	2.1563	2.1563	2.1824	2.1824	2.1840	2.1840
N2	1.4852		2.1793	2.4439	2.4439	1.0258	1.0258	2.6397	2.6397	3.4078	3.4078	2.7179	2.7179
H3	1.1067	2.1793		2.1607	2.1607	2.5146	2.5146	3.0614	3.0614	2.4970	2.4970	2.5096	2.5096
C4	1.5388	2.4439	2.1607		2.5323	3.3605	2.6565	1.0942	2.7628	1.0952	2.7817	1.0972	3.4916
C5	1.5388	2.4439	2.1607	2.5323		2.6565	3.3605	2.7628	1.0942	2.7817	1.0952	3.4916	1.0972
H6	2.0920	1.0258	2.5146	3.3605	2.6565		1.6728	3.5906	2.9395	4.2264	3.6801	3.6721	2.4952
H7	2.0920	1.0258	2.5146	2.6565	3.3605	1.6728		2.9395	3.5906	3.6801	4.2264	2.4952	3.6721
H8	2.1563	2.6397	3.0614	1.0942	2.7628	3.5906	2.9395		2.5415	1.7896	3.1250	1.7785	3.7670
H9	2.1563	2.6397	3.0614	2.7628	1.0942	2.9395	3.5906	2.5415		3.1250	1.7896	3.7670	1.7785
H10	2.1824	3.4078	2.4970	1.0952	2.7817	4.2264	3.6801	1.7896	3.1250		2.5821	1.7772	3.7897
H11	2.1824	3.4078	2.4970	2.7817	1.0952	3.6801	4.2264	3.1250	1.7896	2.5821		3.7897	1.7772
H12	2.1840	2.7179	2.5096	1.0972	3.4916	3.6721	2.4952	1.7785	3.7670	1.7772	3.7897		4.3388
H13	2.1840	2.7179	2.5096	3.4916	1.0972	2.4952	3.6721	3.7670	1.7785	3.7897	1.7772	4.3388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.535	C1	N2	H7	111.535
C1	C4	H8	108.786	C1	C4	H10	110.773
C1	C4	H12	110.778	C1	C5	H9	108.786
C1	C5	H11	110.773	C1	C5	H13	110.778
N2	C1	H3	113.650	N2	C1	C4	107.824
N2	C1	C5	107.824	H3	C1	C4	108.413
H3	C1	C5	108.413	C4	C1	C5	110.730
H6	N2	H7	109.252	H8	C4	H10	109.652
H8	C4	H12	108.500	H9	C5	H11	109.652
H9	C5	H13	108.500	H10	C4	H12	108.316
H11	C5	H13	108.316

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

using model chemistry: B3LYP/3-21G*

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	-0.093
2	N	-0.645
3	H	0.158
4	C	-0.522
5	C	-0.522
6	H	0.257
7	H	0.257
8	H	0.202
9	H	0.202
10	H	0.179
11	H	0.179
12	H	0.175
13	H	0.175

	x	y	z
x	5.962	0.038	0.000
y	0.038	4.800	0.000
z	0.000	0.000	6.006

<r²>	93.690
(<r²>)^1/2	9.679

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

using model chemistry: B3LYP/3-21G*

States and conformations

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