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	hartrees
Energy at 0K	-171.197456
Energy at 298.15K	-171.207946
Nuclear repulsion energy	134.461764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3896	3181	6.07
2	A'	3761	3071	1.84
3	A'	3752	3064	2.44
4	A'	3580	2923	17.64
5	A'	3570	2915	0.71
6	A'	2020	1650	4.77
7	A'	1840	1502	1.50
8	A'	1832	1496	0.81
9	A'	1742	1422	2.27
10	A'	1656	1352	31.75
11	A'	1431	1169	2.66
12	A'	1387	1132	30.59
13	A'	1194	975	10.86
14	A'	1091	891	55.23
15	A'	961	785	0.37
16	A'	513	419	8.22
17	A'	400	326	0.27
18	A'	254	208	0.45
19	A"	4081	3332	6.24
20	A"	3760	3070	0.18
21	A"	3750	3062	1.33
22	A"	3570	2915	2.43
23	A"	1830	1494	0.10
24	A"	1827	1492	0.11
25	A"	1750	1429	3.16
26	A"	1673	1366	8.53
27	A"	1499	1224	0.90
28	A"	1249	1020	2.32
29	A"	1152	940	0.65
30	A"	1110	906	0.04
31	A"	428	350	4.77
32	A"	304	248	47.47
33	A"	219	178	2.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.292	0.216	0.000
N2	-0.928	1.076	0.000
H3	1.206	0.824	0.000
C4	0.292	-0.655	1.276
C5	0.292	-0.655	-1.276
H6	-0.860	1.706	-0.817
H7	-0.860	1.706	0.817
H8	-0.597	-1.276	1.306
H9	-0.597	-1.276	-1.306
H10	1.168	-1.297	1.297
H11	1.168	-1.297	-1.297
H12	0.305	-0.029	2.163
H13	0.305	-0.029	-2.163

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4925	1.0974	1.5448	1.5448	2.0527	2.0527	2.1737	2.1737	2.1766	2.1766	2.1773	2.1773
N2	1.4925		2.1487	2.4722	2.4722	1.0334	1.0334	2.7109	2.7109	3.4209	3.4209	2.7243	2.7243
H3	1.0974	2.1487		2.1562	2.1562	2.3905	2.3905	3.0607	3.0607	2.4859	2.4859	2.4940	2.4940
C4	1.5448	2.4722	2.1562		2.5513	3.3584	2.6668	1.0853	2.8007	1.0857	2.7922	1.0861	3.4955
C5	1.5448	2.4722	2.1562	2.5513		2.6668	3.3584	2.8007	1.0853	2.7922	1.0857	3.4955	1.0861
H6	2.0527	1.0334	2.3905	3.3584	2.6668		1.6333	3.6699	3.0333	4.1945	3.6549	3.6399	2.4864
H7	2.0527	1.0334	2.3905	2.6668	3.3584	1.6333		3.0333	3.6699	3.6549	4.1945	2.4864	3.6399
H8	2.1737	2.7109	3.0607	1.0853	2.8007	3.6699	3.0333		2.6128	1.7650	3.1452	1.7615	3.7957
H9	2.1737	2.7109	3.0607	2.8007	1.0853	3.0333	3.6699	2.6128		3.1452	1.7650	3.7957	1.7615
H10	2.1766	3.4209	2.4859	1.0857	2.7922	4.1945	3.6549	1.7650	3.1452		2.5938	1.7611	3.7847
H11	2.1766	3.4209	2.4859	2.7922	1.0857	3.6549	4.1945	3.1452	1.7650	2.5938		3.7847	1.7611
H12	2.1773	2.7243	2.4940	1.0861	3.4955	3.6399	2.4864	1.7615	3.7957	1.7611	3.7847		4.3267
H13	2.1773	2.7243	2.4940	3.4955	1.0861	2.4864	3.6399	3.7957	1.7615	3.7847	1.7611	4.3267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.315	C1	N2	H7	107.315
C1	C4	H8	110.255	C1	C4	H10	110.458
C1	C4	H12	110.494	C1	C5	H9	110.255
C1	C5	H11	110.458	C1	C5	H13	110.494
N2	C1	H3	111.210	N2	C1	C4	108.961
N2	C1	C5	108.961	H3	C1	C4	108.191
H3	C1	C5	108.191	C4	C1	C5	111.338
H6	N2	H7	104.411	H8	C4	H10	108.779
H8	C4	H12	108.433	H9	C5	H11	108.779
H9	C5	H13	108.433	H10	C4	H12	108.361
H11	C5	H13	108.361

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

using model chemistry: HF/STO-3G

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	0.063
2	N	-0.384
3	H	0.037
4	C	-0.181
5	C	-0.181
6	H	0.141
7	H	0.141
8	H	0.068
9	H	0.068
10	H	0.058
11	H	0.058
12	H	0.056
13	H	0.056

	x	y	z	Total
	1.291	0.782	0.000	1.510
CHELPG
AIM
ESP

	x	y	z
x	2.649	-0.343	0.000
y	-0.343	3.095	0.000
z	0.000	0.000	3.269

<r²>	93.701
(<r²>)^1/2	9.680

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

using model chemistry: HF/STO-3G

States and conformations

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