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	hartrees
Energy at 0K	-212.259615
Energy at 298.15K	-212.272436
Nuclear repulsion energy	193.232032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3920	3530	4.97
2	A	3799	3421	0.65
3	A	3277	2950	73.55
4	A	3271	2945	153.95
5	A	3266	2940	95.08
6	A	3255	2930	17.39
7	A	3248	2924	25.65
8	A	3220	2899	7.48
9	A	3186	2868	49.85
10	A	3179	2862	59.34
11	A	3135	2823	90.18
12	A	1837	1654	54.73
13	A	1665	1499	16.98
14	A	1657	1492	4.15
15	A	1651	1487	7.53
16	A	1644	1480	3.44
17	A	1637	1474	1.45
18	A	1574	1417	17.06
19	A	1557	1402	1.12
20	A	1553	1399	12.20
21	A	1514	1363	2.00
22	A	1470	1324	0.57
23	A	1443	1299	6.72
24	A	1340	1207	0.15
25	A	1312	1181	2.72
26	A	1271	1144	6.41
27	A	1181	1063	34.76
28	A	1166	1050	6.73
29	A	1059	954	0.41
30	A	1027	925	1.50
31	A	1011	910	0.40
32	A	982	884	7.63
33	A	851	766	7.94
34	A	674	607	277.55
35	A	516	464	11.34
36	A	447	403	0.55
37	A	388	349	0.08
38	A	286	257	2.30
39	A	269	242	6.35
40	A	231	208	4.61
41	A	197	177	45.94
42	A	127	114	3.93

Atom	x (Å)	y (Å)	z (Å)
N1	-2.021	-0.028	-0.157
H2	-2.833	-0.607	-0.160
H3	-2.196	0.879	0.219
C4	-0.775	-0.676	0.259
H5	-0.666	-0.709	1.346
H6	-0.814	-1.703	-0.084
C7	1.733	-0.805	0.015
H8	1.889	-0.825	1.090
H9	1.661	-1.831	-0.331
H10	2.615	-0.364	-0.438
C11	0.607	1.462	0.108
H12	1.500	1.912	-0.314
H13	-0.239	2.059	-0.213
H14	0.684	1.528	1.190
C15	0.469	-0.003	-0.346
H16	0.343	-0.014	-1.423

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		0.9974	0.9971	1.4649	2.1353	2.0662	3.8377	4.1807	4.1038	4.6571	3.0329	4.0236	2.7451	3.3988	2.4981	2.6823
H2	0.9974		1.6609	2.1015	2.6411	2.2984	4.5737	4.8893	4.6607	5.4607	4.0236	5.0148	3.7206	4.3302	3.3626	3.4693
H3	0.9971	1.6609		2.1068	2.4769	2.9445	4.2797	4.5110	4.7462	5.0125	2.8656	3.8749	2.3261	3.1078	2.8641	3.1531
C4	1.4649	2.1015	2.1068		1.0926	1.0841	2.5232	2.7943	2.7600	3.4750	2.5500	3.4931	2.8265	2.8019	1.5387	2.1259
H5	2.1353	2.6411	2.4769	1.0926		1.7477	2.7450	2.5698	3.0797	3.7504	2.8050	3.7841	3.2057	2.6174	2.1563	3.0282
H6	2.0662	2.2984	2.9445	1.0841	1.7477		2.7027	3.0750	2.4905	3.6984	3.4748	4.2987	3.8081	3.7825	2.1464	2.4468
C7	3.8377	4.5737	4.2797	2.5232	2.7450	2.7027		1.0868	1.0858	1.0851	2.5324	2.7466	3.4844	2.8149	1.5393	2.1509
H8	4.1807	4.8893	4.5110	2.7943	2.5698	3.0750	1.0868		1.7566	1.7538	2.7994	3.1007	3.8133	2.6453	2.1799	3.0603
H9	4.1038	4.6607	4.7462	2.7600	3.0797	2.4905	1.0858	1.7566		1.7538	3.4854	3.7470	4.3310	3.8151	2.1824	2.4967
H10	4.6571	5.4607	5.0125	3.4750	3.7504	3.6984	1.0851	1.7538	1.7538		2.7681	2.5375	3.7504	3.1560	2.1777	2.5012
C11	3.0329	4.0236	2.8656	2.5500	2.8050	3.4748	2.5324	2.7994	3.4854	2.7681		1.0853	1.0840	1.0875	1.5394	2.1426
H12	4.0236	5.0148	3.8749	3.4931	3.7841	4.2987	2.7466	3.1007	3.7470	2.5375	1.0853		1.7481	1.7543	2.1749	2.5056
H13	2.7451	3.7206	2.3261	2.8265	3.2057	3.8081	3.4844	3.8133	4.3310	3.7504	1.0840	1.7481		1.7614	2.1842	2.4697
H14	3.3988	4.3302	3.1078	2.8019	2.6174	3.7825	2.8149	2.6453	3.8151	3.1560	1.0875	1.7543	1.7614		2.1791	3.0535
C15	2.4981	3.3626	2.8641	1.5387	2.1563	2.1464	1.5393	2.1799	2.1824	2.1777	1.5394	2.1749	2.1842	2.1791		1.0851
H16	2.6823	3.4693	3.1531	2.1259	3.0282	2.4468	2.1509	3.0603	2.4967	2.5012	2.1426	2.5056	2.4697	3.0535	1.0851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	112.400	N1	C4	H6	107.368
N1	C4	C15	112.527	H2	N1	H3	112.763
H2	N1	C4	115.878	H3	N1	C4	116.389
C4	C15	C7	110.120	C4	C15	C11	111.879
C4	C15	H16	106.967	H5	C4	H6	106.819
H5	C4	C15	108.887	H6	C4	C15	108.609
C7	C15	C11	110.684	C7	C15	H16	108.854
H8	C7	H9	107.900	H8	C7	H10	107.705
H8	C7	C15	111.039	H9	C7	H10	107.769
H9	C7	C15	111.302	H10	C7	C15	110.967
C11	C15	H16	108.202	H12	C11	H13	107.378
H12	C11	H14	107.686	H12	C11	C15	110.732
H13	C11	H14	108.407	H13	C11	C15	111.547
H14	C11	C15	110.933

All results from a given calculation for C(NH₂)H₂C(CH₃)HCH₃ (1-Propanamine, 2-methyl-)

using model chemistry: HF/SDD

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	N	-0.773
2	H	0.311
3	H	0.303
4	C	-0.204
5	H	0.136
6	H	0.171
7	C	-0.591
8	H	0.163
9	H	0.175
10	H	0.180
11	C	-0.601
12	H	0.181
13	H	0.186
14	H	0.160
15	C	0.024
16	H	0.179

	x	y	z	Total
	-0.331	-0.270	1.048	1.131
CHELPG
AIM
ESP

	x	y	z
x	7.581	-0.030	0.135
y	-0.030	7.120	0.048
z	0.135	0.048	6.108

<r²>	151.579
(<r²>)^1/2	12.312

All results from a given calculation for C(NH2)H2C(CH3)HCH3 (1-Propanamine, 2-methyl-)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C(NH₂)H₂C(CH₃)HCH₃ (1-Propanamine, 2-methyl-)