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	hartrees
Energy at 0K	-174.342621
Energy at 298.15K	-174.336027
HF Energy	-174.506236
Nuclear repulsion energy	135.319451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3479	3357	1.59
2	A'	3114	3005	55.42
3	A'	3096	2987	47.64
4	A'	3031	2925	4.17
5	A'	2915	2813	77.91
6	A'	1658	1600	26.75
7	A'	1510	1457	3.16
8	A'	1495	1442	3.61
9	A'	1415	1366	9.85
10	A'	1378	1330	20.61
11	A'	1204	1162	5.37
12	A'	1161	1120	18.15
13	A'	1000	965	5.69
14	A'	862	832	113.62
15	A'	817	789	5.17
16	A'	470	454	9.86
17	A'	358	346	0.17
18	A'	258	249	0.25
19	A"	3557	3433	0.37
20	A"	3108	2999	0.11
21	A"	3093	2984	19.50
22	A"	3027	2921	40.75
23	A"	1490	1438	0.01
24	A"	1485	1433	0.22
25	A"	1413	1363	14.51
26	A"	1387	1339	0.02
27	A"	1269	1225	0.01
28	A"	1033	997	1.42
29	A"	960	927	0.27
30	A"	928	896	0.18
31	A"	401	387	5.59
32	A"	291	281	30.84
33	A"	211	204	4.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.364	0.000
N2	-1.395	-0.099	0.000
H3	0.078	1.467	0.000
C4	0.690	-0.151	1.265
C5	0.690	-0.151	-1.265
H6	-1.881	0.273	-0.812
H7	-1.881	0.273	0.812
H8	0.658	-1.245	1.297
H9	0.658	-1.245	-1.297
H10	1.735	0.172	1.300
H11	1.735	0.172	-1.300
H12	0.194	0.227	2.166
H13	0.194	0.227	-2.166

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4697	1.1060	1.5299	1.5299	2.0505	2.0505	2.1682	2.1682	2.1767	2.1767	2.1793	2.1793
N2	1.4697		2.1495	2.4390	2.4390	1.0164	1.0164	2.6848	2.6848	3.4002	3.4002	2.7061	2.7061
H3	1.1060	2.1495		2.1429	2.1429	2.4332	2.4332	3.0613	3.0613	2.4730	2.4730	2.4987	2.4987
C4	1.5299	2.4390	2.1429		2.5299	3.3316	2.6440	1.0948	2.7857	1.0945	2.7888	1.0961	3.4875
C5	1.5299	2.4390	2.1429	2.5299		2.6440	3.3316	2.7857	1.0948	2.7888	1.0945	3.4875	1.0961
H6	2.0505	1.0164	2.4332	3.3316	2.6440		1.6240	3.6321	2.9967	4.1886	3.6498	3.6297	2.4777
H7	2.0505	1.0164	2.4332	2.6440	3.3316	1.6240		2.9967	3.6321	3.6498	4.1886	2.4777	3.6297
H8	2.1682	2.6848	3.0613	1.0948	2.7857	3.6321	2.9967		2.5936	1.7795	3.1482	1.7714	3.7914
H9	2.1682	2.6848	3.0613	2.7857	1.0948	2.9967	3.6321	2.5936		3.1482	1.7795	3.7914	1.7714
H10	2.1767	3.4002	2.4730	1.0945	2.7888	4.1886	3.6498	1.7795	3.1482		2.6005	1.7689	3.7943
H11	2.1767	3.4002	2.4730	2.7888	1.0945	3.6498	4.1886	3.1482	1.7795	2.6005		3.7943	1.7689
H12	2.1793	2.7061	2.4987	1.0961	3.4875	3.6297	2.4777	1.7714	3.7914	1.7689	3.7943		4.3327
H13	2.1793	2.7061	2.4987	3.4875	1.0961	2.4777	3.6297	3.7914	1.7714	3.7943	1.7689	4.3327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.418	C1	N2	H7	110.418
C1	C4	H8	110.236	C1	C4	H10	110.967
C1	C4	H12	111.117	C1	C5	H9	110.236
C1	C5	H11	110.967	C1	C5	H13	111.117
N2	C1	H3	112.450	N2	C1	C4	108.854
N2	C1	C5	108.854	H3	C1	C4	107.647
H3	C1	C5	107.647	C4	C1	C5	111.415
H6	N2	H7	106.779	H8	C4	H10	108.755
H8	C4	H12	107.953	H9	C5	H11	108.755
H9	C5	H13	107.953	H10	C4	H12	107.708
H11	C5	H13	107.708

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

using model chemistry: G4

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	0.073
2	N	-0.510
3	H	0.052
4	C	-0.361
5	C	-0.361
6	H	0.219
7	H	0.219
8	H	0.122
9	H	0.122
10	H	0.109
11	H	0.109
12	H	0.103
13	H	0.103

	x	y	z	Total
	-0.131	1.178	0.000	1.186
CHELPG
AIM
ESP

<r²>	93.433
(<r²>)^1/2	9.666

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

using model chemistry: G4

States and conformations

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