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	hartrees
Energy at 0K	-173.561532
Energy at 298.15K	-173.571836
Nuclear repulsion energy	136.129590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3412	3386	0.61
2	A'	3069	3045	31.57
3	A'	3053	3030	27.95
4	A'	2967	2945	5.72
5	A'	2866	2844	71.42
6	A'	1558	1547	40.67
7	A'	1410	1399	7.76
8	A'	1392	1382	9.48
9	A'	1322	1312	35.64
10	A'	1292	1282	15.36
11	A'	1170	1162	8.74
12	A'	1113	1105	8.31
13	A'	969	961	1.20
14	A'	835	828	2.46
15	A'	763	757	119.63
16	A'	459	455	11.83
17	A'	352	349	0.14
18	A'	257	255	0.31
19	A"	3505	3479	1.65
20	A"	3066	3043	1.06
21	A"	3051	3028	13.41
22	A"	2965	2942	29.92
23	A"	1394	1383	0.34
24	A"	1380	1369	0.35
25	A"	1345	1335	21.18
26	A"	1290	1280	5.86
27	A"	1203	1194	0.02
28	A"	1027	1019	0.07
29	A"	918	911	0.96
30	A"	876	869	0.71
31	A"	401	398	7.70
32	A"	279	277	25.21
33	A"	201	200	5.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.293	0.219	0.000
N2	-0.906	1.037	0.000
H3	1.229	0.833	0.000
C4	0.293	-0.632	1.246
C5	0.293	-0.632	-1.246
H6	-0.945	1.643	-0.828
H7	-0.945	1.643	0.828
H8	-0.613	-1.269	1.259
H9	-0.613	-1.269	-1.259
H10	1.189	-1.280	1.284
H11	1.189	-1.280	-1.284
H12	0.287	-0.007	2.162
H13	0.287	-0.007	-2.162

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4520	1.1191	1.5095	1.5095	2.0602	2.0602	2.1501	2.1501	2.1681	2.1681	2.1734	2.1734
N2	1.4520		2.1457	2.4040	2.4040	1.0261	1.0261	2.6441	2.6441	3.3782	3.3782	2.6809	2.6809
H3	1.1191	2.1457		2.1388	2.1388	2.4638	2.4638	3.0655	3.0655	2.4726	2.4726	2.5030	2.5030
C4	1.5095	2.4040	2.1388		2.4930	3.3180	2.6234	1.1081	2.7396	1.1068	2.7616	1.1082	3.4650
C5	1.5095	2.4040	2.1388	2.4930		2.6234	3.3180	2.7396	1.1081	2.7616	1.1068	3.4650	1.1082
H6	2.0602	1.0261	2.4638	3.3180	2.6234		1.6554	3.5976	2.9622	4.1903	3.6480	3.6298	2.4533
H7	2.0602	1.0261	2.4638	2.6234	3.3180	1.6554		2.9622	3.5976	3.6480	4.1903	2.4533	3.6298
H8	2.1501	2.6441	3.0655	1.1081	2.7396	3.5976	2.9622		2.5181	1.8028	3.1171	1.7940	3.7557
H9	2.1501	2.6441	3.0655	2.7396	1.1081	2.9622	3.5976	2.5181		3.1171	1.8028	3.7557	1.7940
H10	2.1681	3.3782	2.4726	1.1068	2.7616	4.1903	3.6480	1.8028	3.1171		2.5678	1.7906	3.7825
H11	2.1681	3.3782	2.4726	2.7616	1.1068	3.6480	4.1903	3.1171	1.8028	2.5678		3.7825	1.7906
H12	2.1734	2.6809	2.5030	1.1082	3.4650	3.6298	2.4533	1.7940	3.7557	1.7906	3.7825		4.3232
H13	2.1734	2.6809	2.5030	3.4650	1.1082	2.4533	3.6298	3.7557	1.7940	3.7825	1.7906	4.3232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.311	C1	N2	H7	111.311
C1	C4	H8	109.495	C1	C4	H10	110.997
C1	C4	H12	111.334	C1	C5	H9	109.495
C1	C5	H11	110.997	C1	C5	H13	111.334
N2	C1	H3	112.495	N2	C1	C4	108.523
N2	C1	C5	108.523	H3	C1	C4	107.999
H3	C1	C5	107.999	C4	C1	C5	111.336
H6	N2	H7	107.535	H8	C4	H10	108.968
H8	C4	H12	108.085	H9	C5	H11	108.968
H9	C5	H13	108.085	H10	C4	H12	107.881
H11	C5	H13	107.881

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

using model chemistry: SVWN/aug-cc-pVDZ

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	0.002
2	N	0.094
3	H	-0.401
4	C	0.761
5	C	0.761
6	H	-0.065
7	H	-0.065
8	H	-0.113
9	H	-0.113
10	H	-0.182
11	H	-0.182
12	H	-0.248
13	H	-0.248

	x	y	z	Total
	0.906	0.822	0.000	1.224
CHELPG
AIM
ESP

	x	y	z
x	7.866	-0.389	0.000
y	-0.389	8.034	0.000
z	0.000	0.000	8.334

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/aug-cc-pVDZ

States and conformations

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