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	hartrees
Energy at 0K	-174.463648
Energy at 298.15K	-174.473911
Nuclear repulsion energy	134.439983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3530	3393	1.41
2	A'	3145	3023	90.61
3	A'	3120	2999	77.82
4	A'	3036	2918	6.38
5	A'	2932	2818	111.67
6	A'	1682	1616	46.46
7	A'	1530	1470	13.14
8	A'	1517	1458	8.36
9	A'	1436	1380	20.36
10	A'	1384	1330	33.40
11	A'	1223	1175	16.87
12	A'	1174	1129	15.92
13	A'	995	956	3.42
14	A'	822	790	0.84
15	A'	619	595	219.20
16	A'	473	455	29.27
17	A'	359	345	0.37
18	A'	252	242	0.17
19	A"	3656	3514	0.00
20	A"	3137	3015	0.92
21	A"	3114	2993	27.31
22	A"	3031	2913	59.36
23	A"	1511	1453	0.99
24	A"	1507	1448	3.05
25	A"	1421	1365	25.49
26	A"	1408	1353	6.72
27	A"	1257	1208	2.63
28	A"	1024	985	0.20
29	A"	978	940	0.35
30	A"	944	907	1.90
31	A"	401	386	5.91
32	A"	262	252	42.98
33	A"	199	191	8.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.374	0.000
N2	-1.403	-0.095	0.000
H3	0.068	1.481	0.000
C4	0.698	-0.140	1.274
C5	0.698	-0.140	-1.274
H6	-1.925	0.125	-0.845
H7	-1.925	0.125	0.845
H8	0.678	-1.237	1.293
H9	0.678	-1.237	-1.293
H10	1.742	0.198	1.310
H11	1.742	0.198	-1.310
H12	0.193	0.227	2.178
H13	0.193	0.227	-2.178

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4794	1.1097	1.5407	1.5407	2.1171	2.1171	2.1739	2.1739	2.1870	2.1870	2.1916	2.1916
N2	1.4794		2.1559	2.4578	2.4578	1.0174	1.0174	2.7036	2.7036	3.4200	3.4200	2.7195	2.7195
H3	1.1097	2.1559		2.1562	2.1562	2.5545	2.5545	3.0713	3.0713	2.4836	2.4836	2.5165	2.5165
C4	1.5407	2.4578	2.1562		2.5471	3.3826	2.6713	1.0969	2.7910	1.0978	2.8072	1.0996	3.5079
C5	1.5407	2.4578	2.1562	2.5471		2.6713	3.3826	2.7910	1.0969	2.8072	1.0978	3.5079	1.0996
H6	2.1171	1.0174	2.5545	3.3826	2.6713		1.6907	3.6338	2.9718	4.2545	3.6973	3.6929	2.5044
H7	2.1171	1.0174	2.5545	2.6713	3.3826	1.6907		2.9718	3.6338	3.6973	4.2545	2.5044	3.6929
H8	2.1739	2.7036	3.0713	1.0969	2.7910	3.6338	2.9718		2.5860	1.7861	3.1571	1.7784	3.7985
H9	2.1739	2.7036	3.0713	2.7910	1.0969	2.9718	3.6338	2.5860		3.1571	1.7861	3.7985	1.7784
H10	2.1870	3.4200	2.4836	1.0978	2.8072	4.2545	3.6973	1.7861	3.1571		2.6207	1.7761	3.8172
H11	2.1870	3.4200	2.4836	2.8072	1.0978	3.6973	4.2545	3.1571	1.7861	2.6207		3.8172	1.7761
H12	2.1916	2.7195	2.5165	1.0996	3.5079	3.6929	2.5044	1.7784	3.7985	1.7761	3.8172		4.3564
H13	2.1916	2.7195	2.5165	3.5079	1.0996	2.5044	3.6929	3.7985	1.7784	3.8172	1.7761	4.3564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	114.713	C1	N2	H7	114.713
C1	C4	H8	109.873	C1	C4	H10	110.852
C1	C4	H12	111.111	C1	C5	H9	109.873
C1	C5	H11	110.852	C1	C5	H13	111.111
N2	C1	H3	111.958	N2	C1	C4	108.922
N2	C1	C5	108.922	H3	C1	C4	107.781
H3	C1	C5	107.781	C4	C1	C5	111.500
H6	N2	H7	112.385	H8	C4	H10	108.940
H8	C4	H12	108.128	H9	C5	H11	108.940
H9	C5	H13	108.128	H10	C4	H12	107.854
H11	C5	H13	107.854

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

using model chemistry: B3LYP/LANL2DZ

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	0.010
2	N	-0.603
3	H	0.160
4	C	-0.630
5	C	-0.630
6	H	0.259
7	H	0.259
8	H	0.213
9	H	0.213
10	H	0.187
11	H	0.187
12	H	0.187
13	H	0.187

	x	y	z	Total
	-0.229	1.253	0.000	1.273
CHELPG
AIM
ESP

	x	y	z
x	6.150	0.119	0.000
y	0.119	5.051	0.000
z	0.000	0.000	6.282

<r²>	94.427
(<r²>)^1/2	9.717

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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