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	hartrees
Energy at 0K	-174.332706
Energy at 298.15K	-174.342972
Nuclear repulsion energy	133.827109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3384	3358	6.75
2	A'	3056	3032	73.61
3	A'	3029	3006	66.32
4	A'	2964	2942	4.35
5	A'	2800	2779	122.48
6	A'	1658	1646	25.80
7	A'	1516	1505	5.35
8	A'	1502	1491	4.70
9	A'	1419	1408	7.01
10	A'	1358	1348	39.45
11	A'	1194	1185	9.50
12	A'	1141	1132	6.51
13	A'	964	957	5.18
14	A'	796	790	0.45
15	A'	625	620	194.12
16	A'	472	468	23.87
17	A'	358	355	0.21
18	A'	254	252	0.15
19	A"	3498	3471	2.91
20	A"	3048	3025	0.77
21	A"	3025	3002	20.94
22	A"	2959	2936	57.67
23	A"	1497	1486	0.06
24	A"	1493	1481	1.05
25	A"	1402	1392	1.88
26	A"	1382	1372	16.65
27	A"	1240	1230	0.25
28	A"	1005	998	1.01
29	A"	960	953	0.00
30	A"	930	923	0.28
31	A"	397	394	6.49
32	A"	271	269	39.99
33	A"	210	208	10.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.374	0.000
N2	-1.407	-0.105	0.000
H3	0.074	1.490	0.000
C4	0.699	-0.141	1.281
C5	0.699	-0.141	-1.281
H6	-1.928	0.152	-0.844
H7	-1.928	0.152	0.844
H8	0.682	-1.243	1.303
H9	0.682	-1.243	-1.303
H10	1.747	0.204	1.320
H11	1.747	0.204	-1.320
H12	0.188	0.230	2.188
H13	0.188	0.230	-2.188

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4858	1.1188	1.5473	1.5473	2.1169	2.1169	2.1859	2.1859	2.1964	2.1964	2.2011	2.2011
N2	1.4858		2.1764	2.4651	2.4651	1.0250	1.0250	2.7124	2.7124	3.4328	3.4328	2.7285	2.7285
H3	1.1188	2.1764		2.1658	2.1658	2.5526	2.5526	3.0884	3.0884	2.4892	2.4892	2.5279	2.5279
C4	1.5473	2.4651	2.1658		2.5615	3.3922	2.6799	1.1028	2.8094	1.1036	2.8251	1.1054	3.5260
C5	1.5473	2.4651	2.1658	2.5615		2.6799	3.3922	2.8094	1.1028	2.8251	1.1036	3.5260	1.1054
H6	2.1169	1.0250	2.5526	3.3922	2.6799		1.6884	3.6567	2.9952	4.2658	3.7066	3.6991	2.5088
H7	2.1169	1.0250	2.5526	2.6799	3.3922	1.6884		2.9952	3.6567	3.7066	4.2658	2.5088	3.6991
H8	2.1859	2.7124	3.0884	1.1028	2.8094	3.6567	2.9952		2.6064	1.7966	3.1796	1.7879	3.8215
H9	2.1859	2.7124	3.0884	2.8094	1.1028	2.9952	3.6567	2.6064		3.1796	1.7966	3.8215	1.7879
H10	2.1964	3.4328	2.4892	1.1036	2.8251	4.2658	3.7066	1.7966	3.1796		2.6405	1.7843	3.8393
H11	2.1964	3.4328	2.4892	2.8251	1.1036	3.7066	4.2658	3.1796	1.7966	2.6405		3.8393	1.7843
H12	2.2011	2.7285	2.5279	1.1054	3.5260	3.6991	2.5088	1.7879	3.8215	1.7843	3.8393		4.3767
H13	2.2011	2.7285	2.5279	3.5260	1.1054	2.5088	3.6991	3.8215	1.7879	3.8393	1.7843	4.3767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	113.674	C1	N2	H7	113.674
C1	C4	H8	110.009	C1	C4	H10	110.790
C1	C4	H12	111.051	C1	C5	H9	110.009
C1	C5	H11	110.790	C1	C5	H13	111.051
N2	C1	H3	112.595	N2	C1	C4	108.714
N2	C1	C5	108.714	H3	C1	C4	107.562
H3	C1	C5	107.562	C4	C1	C5	111.732
H6	N2	H7	110.890	H8	C4	H10	109.036
H8	C4	H12	108.120	H9	C5	H11	109.036
H9	C5	H13	108.120	H10	C4	H12	107.751
H11	C5	H13	107.751

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

using model chemistry: BLYP/6-31G

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	0.056
2	N	-0.640
3	H	0.080
4	C	-0.349
5	C	-0.349
6	H	0.252
7	H	0.252
8	H	0.132
9	H	0.132
10	H	0.111
11	H	0.111
12	H	0.106
13	H	0.106

	x	y	z	Total
	-0.302	1.226	0.000	1.263
CHELPG
AIM
ESP

<r²>	95.313
(<r²>)^1/2	9.763

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

using model chemistry: BLYP/6-31G

States and conformations

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