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	hartrees
Energy at 0K	-174.307356
Energy at 298.15K	-174.317822
HF Energy	-174.307356
Nuclear repulsion energy	135.775625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3541	3380	0.64
2	A'	3149	3007	50.24
3	A'	3132	2991	44.92
4	A'	3055	2917	6.03
5	A'	2956	2822	82.06
6	A'	1670	1594	48.71
7	A'	1511	1443	8.76
8	A'	1497	1429	7.09
9	A'	1418	1354	22.65
10	A'	1377	1315	24.52
11	A'	1211	1156	9.64
12	A'	1168	1115	14.60
13	A'	1003	958	3.54
14	A'	837	799	3.64
15	A'	832	794	141.93
16	A'	476	455	12.90
17	A'	365	349	0.14
18	A'	267	255	0.28
19	A"	3637	3472	0.72
20	A"	3145	3003	0.00
21	A"	3130	2989	19.62
22	A"	3051	2913	46.66
23	A"	1490	1423	0.36
24	A"	1485	1418	0.47
25	A"	1423	1358	23.08
26	A"	1383	1321	0.38
27	A"	1266	1209	0.04
28	A"	1046	999	0.85
29	A"	966	923	0.47
30	A"	930	888	0.38
31	A"	408	389	6.66
32	A"	289	276	37.77
33	A"	215	206	7.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.292	0.218	0.000
N2	-0.906	1.055	0.000
H3	1.220	0.820	0.000
C4	0.292	-0.640	1.258
C5	0.292	-0.640	-1.258
H6	-0.932	1.656	-0.818
H7	-0.932	1.656	0.818
H8	-0.603	-1.271	1.282
H9	-0.603	-1.271	-1.282
H10	1.177	-1.283	1.292
H11	1.177	-1.283	-1.292
H12	0.294	-0.020	2.162
H13	0.294	-0.020	-2.162

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4615	1.1060	1.5226	1.5226	2.0570	2.0570	2.1592	2.1592	2.1697	2.1697	2.1749	2.1749
N2	1.4615		2.1391	2.4270	2.4270	1.0148	1.0148	2.6729	2.6729	3.3878	3.3878	2.6964	2.6964
H3	1.1060	2.1391		2.1388	2.1388	2.4485	2.4485	3.0559	3.0559	2.4688	2.4688	2.4970	2.4970
C4	1.5226	2.4270	2.1388		2.5156	3.3276	2.6381	1.0952	2.7661	1.0947	2.7751	1.0962	3.4753
C5	1.5226	2.4270	2.1388	2.5156		2.6381	3.3276	2.7661	1.0952	2.7751	1.0947	3.4753	1.0962
H6	2.0570	1.0148	2.4485	3.3276	2.6381		1.6352	3.6166	2.9809	4.1874	3.6479	3.6314	2.4733
H7	2.0570	1.0148	2.4485	2.6381	3.3276	1.6352		2.9809	3.6166	3.6479	4.1874	2.4733	3.6314
H8	2.1592	2.6729	3.0559	1.0952	2.7661	3.6166	2.9809		2.5647	1.7804	3.1304	1.7730	3.7726
H9	2.1592	2.6729	3.0559	2.7661	1.0952	2.9809	3.6166	2.5647		3.1304	1.7804	3.7726	1.7730
H10	2.1697	3.3878	2.4688	1.0947	2.7751	4.1874	3.6479	1.7804	3.1304		2.5849	1.7692	3.7823
H11	2.1697	3.3878	2.4688	2.7751	1.0947	3.6479	4.1874	3.1304	1.7804	2.5849		3.7823	1.7692
H12	2.1749	2.6964	2.4970	1.0962	3.4753	3.6314	2.4733	1.7730	3.7726	1.7692	3.7823		4.3236
H13	2.1749	2.6964	2.4970	3.4753	1.0962	2.4733	3.6314	3.7726	1.7730	3.7823	1.7692	4.3236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.054	C1	N2	H7	111.054
C1	C4	H8	110.063	C1	C4	H10	110.929
C1	C4	H12	111.252	C1	C5	H9	110.063
C1	C5	H11	110.929	C1	C5	H13	111.252
N2	C1	H3	112.109	N2	C1	C4	108.825
N2	C1	C5	108.825	H3	C1	C4	107.858
H3	C1	C5	107.858	C4	C1	C5	111.392
H6	N2	H7	107.357	H8	C4	H10	108.779
H8	C4	H12	108.010	H9	C5	H11	108.779
H9	C5	H13	108.010	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: HSEh1PBE/6-31+G**

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	0.053
2	N	-0.612
3	H	0.138
4	C	-0.571
5	C	-0.571
6	H	0.287
7	H	0.287
8	H	0.180
9	H	0.180
10	H	0.161
11	H	0.161
12	H	0.153
13	H	0.153

	x	y	z	Total
	1.054	0.866	0.000	1.364
CHELPG
AIM
ESP

	x	y	z
x	6.728	-0.305	0.000
y	-0.305	6.811	0.000
z	0.000	0.000	7.148

<r²>	93.265
(<r²>)^1/2	9.657

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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