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	hartrees
Energy at 0K	-173.616045
Energy at 298.15K	-173.626374
Nuclear repulsion energy	136.752412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3414	3380	0.16
2	A'	3053	3024	30.85
3	A'	3037	3007	27.68
4	A'	2959	2931	5.37
5	A'	2837	2810	72.91
6	A'	1572	1557	38.90
7	A'	1430	1416	8.58
8	A'	1412	1398	9.20
9	A'	1338	1325	31.59
10	A'	1311	1298	14.44
11	A'	1175	1164	7.07
12	A'	1125	1114	13.14
13	A'	977	968	1.19
14	A'	836	828	4.63
15	A'	781	774	131.48
16	A'	461	457	11.73
17	A'	348	344	0.09
18	A'	259	256	0.25
19	A"	3502	3468	0.76
20	A"	3051	3021	1.07
21	A"	3035	3006	13.61
22	A"	2957	2929	29.58
23	A"	1410	1396	0.00
24	A"	1401	1387	0.42
25	A"	1356	1343	19.94
26	A"	1312	1299	7.85
27	A"	1217	1205	0.04
28	A"	1027	1017	0.12
29	A"	928	919	0.77
30	A"	888	879	0.73
31	A"	401	397	8.97
32	A"	272	269	25.26
33	A"	209	207	5.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.293	0.222	0.000
N2	-0.905	1.033	0.000
H3	1.226	0.829	0.000
C4	0.293	-0.630	1.240
C5	0.293	-0.630	-1.240
H6	-0.938	1.637	-0.824
H7	-0.938	1.637	0.824
H8	-0.611	-1.259	1.251
H9	-0.611	-1.259	-1.251
H10	1.179	-1.279	1.276
H11	1.179	-1.279	-1.276
H12	0.288	-0.012	2.151
H13	0.288	-0.012	-2.151

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4465	1.1134	1.5041	1.5041	2.0482	2.0482	2.1386	2.1386	2.1605	2.1605	2.1636	2.1636
N2	1.4465		2.1414	2.3950	2.3950	1.0222	1.0222	2.6272	2.6272	3.3642	3.3642	2.6725	2.6725
H3	1.1134	2.1414		2.1297	2.1297	2.4526	2.4526	3.0491	3.0491	2.4646	2.4646	2.4929	2.4929
C4	1.5041	2.3950	2.1297		2.4791	3.3031	2.6128	1.1009	2.7227	1.0993	2.7453	1.1009	3.4462
C5	1.5041	2.3950	2.1297	2.4791		2.6128	3.3031	2.7227	1.1009	2.7453	1.0993	3.4462	1.1009
H6	2.0482	1.0222	2.4526	3.3031	2.6128		1.6473	3.5773	2.9456	4.1708	3.6319	3.6154	2.4464
H7	2.0482	1.0222	2.4526	2.6128	3.3031	1.6473		2.9456	3.5773	3.6319	4.1708	2.4464	3.6154
H8	2.1386	2.6272	3.0491	1.1009	2.7227	3.5773	2.9456		2.5013	1.7900	3.0966	1.7810	3.7325
H9	2.1386	2.6272	3.0491	2.7227	1.1009	2.9456	3.5773	2.5013		3.0966	1.7900	3.7325	1.7810
H10	2.1605	3.3642	2.4646	1.0993	2.7453	4.1708	3.6319	1.7900	3.0966		2.5526	1.7787	3.7609
H11	2.1605	3.3642	2.4646	2.7453	1.0993	3.6319	4.1708	3.0966	1.7900	2.5526		3.7609	1.7787
H12	2.1636	2.6725	2.4929	1.1009	3.4462	3.6154	2.4464	1.7810	3.7325	1.7787	3.7609		4.3018
H13	2.1636	2.6725	2.4929	3.4462	1.1009	2.4464	3.6154	3.7325	1.7810	3.7609	1.7787	4.3018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.962	C1	N2	H7	110.962
C1	C4	H8	109.386	C1	C4	H10	111.230
C1	C4	H12	111.380	C1	C5	H9	109.386
C1	C5	H11	111.230	C1	C5	H13	111.380
N2	C1	H3	112.897	N2	C1	C4	108.507
N2	C1	C5	108.507	H3	C1	C4	107.977
H3	C1	C5	107.977	C4	C1	C5	111.001
H6	N2	H7	107.369	H8	C4	H10	108.891
H8	C4	H12	107.973	H9	C5	H11	108.891
H9	C5	H13	107.973	H10	C4	H12	107.888
H11	C5	H13	107.888

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

using model chemistry: SVWN/cc-pVTZ

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	-0.048
2	N	-0.295
3	H	0.095
4	C	-0.330
5	C	-0.330
6	H	0.130
7	H	0.130
8	H	0.114
9	H	0.114
10	H	0.104
11	H	0.104
12	H	0.105
13	H	0.105

	x	y	z	Total
	0.788	0.909	0.000	1.203
CHELPG
AIM
ESP

	x	y	z
x	6.952	-0.458	0.000
y	-0.458	7.335	0.000
z	0.000	0.000	7.772

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/cc-pVTZ

States and conformations

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