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	hartrees
Energy at 0K	-213.832015
Energy at 298.15K	-213.844557
HF Energy	-213.832015
Nuclear repulsion energy	193.169120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3543	3419	0.23
2	A	3468	3347	2.13
3	A	3100	2991	44.30
4	A	3097	2989	35.52
5	A	3090	2982	74.72
6	A	3084	2976	10.86
7	A	3049	2942	38.67
8	A	3026	2920	24.79
9	A	3020	2914	16.68
10	A	3016	2911	32.95
11	A	2922	2819	74.95
12	A	1663	1605	23.29
13	A	1526	1473	9.89
14	A	1516	1463	2.16
15	A	1511	1458	1.08
16	A	1504	1451	1.29
17	A	1498	1446	0.90
18	A	1433	1383	9.20
19	A	1411	1362	1.25
20	A	1400	1351	3.53
21	A	1373	1324	2.78
22	A	1344	1297	0.25
23	A	1306	1260	8.06
24	A	1229	1186	0.21
25	A	1193	1152	2.19
26	A	1172	1131	5.27
27	A	1081	1043	2.34
28	A	1074	1037	10.23
29	A	963	929	0.21
30	A	939	906	17.94
31	A	924	891	27.64
32	A	916	884	9.73
33	A	852	823	71.01
34	A	794	766	1.82
35	A	470	454	6.68
36	A	396	382	0.43
37	A	344	332	0.49
38	A	270	260	18.66
39	A	253	244	1.38
40	A	225	217	11.85
41	A	211	204	16.09
42	A	108	104	4.00

Atom	x (Å)	y (Å)	z (Å)
N1	-2.009	-0.026	-0.197
H2	-2.805	-0.598	0.074
H3	-2.122	0.849	0.309
C4	-0.772	-0.688	0.240
H5	-0.660	-0.745	1.339
H6	-0.807	-1.721	-0.125
C7	1.733	-0.790	0.024
H8	1.878	-0.812	1.111
H9	1.674	-1.827	-0.326
H10	2.625	-0.335	-0.420
C11	0.582	1.459	0.111
H12	1.478	1.931	-0.305
H13	-0.281	2.049	-0.215
H14	0.651	1.524	1.205
C15	0.470	-0.002	-0.346
H16	0.355	-0.009	-1.438

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0169	1.0172	1.4689	2.1672	2.0789	3.8251	4.1758	4.1012	4.6495	3.0024	4.0008	2.7003	3.3830	2.4838	2.6695
H2	1.0169		1.6169	2.0416	2.4950	2.3007	4.5422	4.8013	4.6616	5.4589	3.9629	4.9890	3.6687	4.2102	3.3557	3.5521
H3	1.0172	1.6169		2.0459	2.3951	2.9190	4.1980	4.4044	4.6868	4.9462	2.7790	3.8094	2.2591	2.9911	2.8057	3.1497
C4	1.4689	2.0416	2.0459		1.1067	1.0967	2.5163	2.7926	2.7569	3.4786	2.5412	3.4960	2.8170	2.8016	1.5356	2.1322
H5	2.1672	2.4950	2.3951	1.1067		1.7663	2.7305	2.5487	3.0642	3.7485	2.8117	3.7997	3.2189	2.6236	2.1612	3.0471
H6	2.0789	2.3007	2.9190	1.0967	1.7663		2.7095	3.0928	2.4913	3.7133	3.4783	4.3126	3.8075	3.7984	2.1536	2.4509
C7	3.8251	4.5422	4.1980	2.5163	2.7305	2.7095		1.0973	1.0960	1.0953	2.5274	2.7529	3.4884	2.8141	1.5337	2.1559
H8	4.1758	4.8013	4.4044	2.7926	2.5487	3.0928	1.0973		1.7713	1.7692	2.7994	3.1135	3.8215	2.6404	2.1826	3.0769
H9	4.1012	4.6616	4.6868	2.7569	3.0642	2.4913	1.0960	1.7713		1.7715	3.4895	3.7632	4.3418	3.8233	2.1861	2.5064
H10	4.6495	5.4589	4.9462	3.4786	3.7485	3.7133	1.0953	1.7692	1.7715		2.7701	2.5427	3.7642	3.1612	2.1816	2.5099
C11	3.0024	3.9629	2.7790	2.5412	2.8117	3.4783	2.5274	2.7994	3.4895	2.7701		1.0955	1.0950	1.0980	1.5345	2.1461
H12	4.0008	4.9890	3.8094	3.4960	3.7997	4.3126	2.7529	3.1135	3.7632	2.5427	1.0955		1.7656	1.7696	2.1806	2.5121
H13	2.7003	3.6687	2.2591	2.8170	3.2189	3.8075	3.4884	3.8215	4.3418	3.7642	1.0950	1.7656		1.7775	2.1876	2.4765
H14	3.3830	4.2102	2.9911	2.8016	2.6236	3.7984	2.8141	2.6404	3.8233	3.1612	1.0980	1.7696	1.7775		2.1835	3.0699
C15	2.4838	3.3557	2.8057	1.5356	2.1612	2.1536	1.5337	2.1826	2.1861	2.1816	1.5345	2.1806	2.1876	2.1835		1.0979
H16	2.6695	3.5521	3.1497	2.1322	3.0471	2.4509	2.1559	3.0769	2.5064	2.5099	2.1461	2.5121	2.4765	3.0699	1.0979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.847	N1	C4	H6	107.365
N1	C4	C15	111.504	H2	N1	H3	105.290
H2	N1	C4	109.079	H3	N1	C4	109.421
C4	C15	C7	110.136	C4	C15	C11	111.731
C4	C15	H16	106.944	H5	C4	H6	106.572
H5	C4	C15	108.667	H6	C4	C15	108.652
C7	C15	C11	110.919	C7	C15	H16	108.892
H8	C7	H9	107.730	H8	C7	H10	107.586
H8	C7	C15	111.024	H9	C7	H10	107.883
H9	C7	C15	111.387	H10	C7	C15	111.063
C11	C15	H16	108.077	H12	C11	H13	107.416
H12	C11	H14	107.561	H12	C11	C15	110.910
H13	C11	H14	108.294	H13	C11	C15	111.499
H14	C11	C15	110.993

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

using model chemistry: TPSSh/6-31G(2df,p)

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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