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	hartrees
Energy at 0K	-212.708429
Energy at 298.15K	-212.721126
HF Energy	-212.226697
Nuclear repulsion energy	191.807701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3505	0.63
2	A	3545	3392	0.15
3	A	3144	3008	33.38
4	A	3135	2999	47.52
5	A	3128	2993	66.36
6	A	3122	2987	11.26
7	A	3088	2955	34.07
8	A	3060	2928	16.27
9	A	3045	2913	21.49
10	A	3042	2911	28.92
11	A	2954	2827	74.44
12	A	1749	1674	32.57
13	A	1587	1518	12.80
14	A	1577	1508	3.92
15	A	1573	1505	0.38
16	A	1568	1500	2.83
17	A	1562	1495	1.29
18	A	1488	1424	11.42
19	A	1465	1402	5.64
20	A	1457	1394	3.68
21	A	1431	1369	3.70
22	A	1389	1329	0.11
23	A	1366	1307	8.12
24	A	1277	1222	0.09
25	A	1241	1188	1.66
26	A	1203	1151	6.81
27	A	1113	1065	9.15
28	A	1101	1054	9.83
29	A	1007	963	0.32
30	A	970	928	1.53
31	A	958	916	0.34
32	A	929	889	7.96
33	A	812	777	11.62
34	A	721	690	211.51
35	A	496	475	9.05
36	A	425	407	0.59
37	A	370	354	0.34
38	A	278	266	4.19
39	A	268	256	10.26
40	A	229	220	5.32
41	A	208	199	47.72
42	A	128	122	4.44

Atom	x (Å)	y (Å)	z (Å)
N1	-2.026	-0.028	-0.162
H2	-2.843	-0.632	-0.141
H3	-2.207	0.848	0.320
C4	-0.770	-0.697	0.247
H5	-0.644	-0.764	1.349
H6	-0.810	-1.729	-0.133
C7	1.758	-0.788	0.024
H8	1.905	-0.797	1.115
H9	1.696	-1.830	-0.323
H10	2.645	-0.328	-0.435
C11	0.579	1.473	0.104
H12	1.477	1.947	-0.317
H13	-0.295	2.048	-0.233
H14	0.643	1.537	1.203
C15	0.477	-0.002	-0.347
H16	0.352	-0.019	-1.442

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0160	1.0161	1.4807	2.1760	2.0913	3.8638	4.2038	4.1384	4.6883	3.0181	4.0246	2.7040	3.3822	2.5103	2.7007
H2	1.0160		1.6758	2.1098	2.6599	2.3101	4.6062	4.9137	4.6977	5.5038	4.0247	5.0343	3.6990	4.3206	3.3855	3.5035
H3	1.0161	1.6758		2.1112	2.4701	2.9663	4.2990	4.4991	4.7768	5.0486	2.8626	3.8966	2.3239	3.0623	2.8934	3.2253
C4	1.4807	2.1098	2.1112		1.1107	1.1005	2.5395	2.8138	2.7732	3.5020	2.5594	3.5158	2.8270	2.8115	1.5467	2.1387
H5	2.1760	2.6599	2.4701	1.1107		1.7759	2.7429	2.5591	3.0668	3.7663	2.8369	3.8238	3.2451	2.6409	2.1708	3.0554
H6	2.0913	2.3101	2.9663	1.1005	1.7759		2.7393	3.1297	2.5151	3.7405	3.4987	4.3336	3.8134	3.8166	2.1645	2.4477
C7	3.8638	4.6062	4.2990	2.5395	2.7429	2.7393		1.1013	1.1003	1.0995	2.5515	2.7704	3.5100	2.8354	1.5473	2.1716
H8	4.2038	4.9137	4.4991	2.8138	2.5591	3.1297	1.1013		1.7832	1.7805	2.8167	3.1245	3.8403	2.6547	2.1923	3.0910
H9	4.1384	4.6977	4.7768	2.7732	3.0668	2.5151	1.1003	1.7832		1.7808	3.5135	3.7837	4.3601	3.8442	2.1970	2.5178
H10	4.6883	5.5038	5.0486	3.5020	3.7663	3.7405	1.0995	1.7805	1.7808		2.7934	2.5596	3.7846	3.1884	2.1935	2.5231
C11	3.0181	4.0247	2.8626	2.5594	2.8369	3.4987	2.5515	2.8167	3.5135	2.7934		1.0997	1.0985	1.1023	1.5465	2.1607
H12	4.0246	5.0343	3.8966	3.5158	3.8238	4.3336	2.7704	3.1245	3.7837	2.5596	1.0997		1.7767	1.7812	2.1911	2.5290
H13	2.7040	3.6990	2.3239	2.8270	3.2451	3.8134	3.5100	3.8403	4.3601	3.7846	1.0985	1.7767		1.7898	2.1937	2.4799
H14	3.3822	4.3206	3.0623	2.8115	2.6409	3.8166	2.8354	2.6547	3.8442	3.1884	1.1023	1.7812	1.7898		2.1911	3.0825
C15	2.5103	3.3855	2.8934	1.5467	2.1708	2.1645	1.5473	2.1923	2.1970	2.1935	1.5465	2.1911	2.1937	2.1911		1.1022
H16	2.7007	3.5035	3.2253	2.1387	3.0554	2.4477	2.1716	3.0910	2.5178	2.5231	2.1607	2.5290	2.4799	3.0825	1.1022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.452	N1	C4	H6	107.320
N1	C4	C15	112.015	H2	N1	H3	111.107
H2	N1	C4	114.059	H3	N1	C4	114.171
C4	C15	C7	110.327	C4	C15	C11	111.671
C4	C15	H16	106.469	H5	C4	H6	106.861
H5	C4	C15	108.432	H6	C4	C15	108.530
C7	C15	C11	111.121	C7	C15	H16	108.933
H8	C7	H9	108.185	H8	C7	H10	108.005
H8	C7	C15	110.602	H9	C7	H10	108.099
H9	C7	C15	111.032	H10	C7	C15	110.805
C11	C15	H16	108.149	H12	C11	H13	107.849
H12	C11	H14	107.977	H12	C11	C15	110.657
H13	C11	H14	108.827	H13	C11	C15	110.931
H14	C11	C15	110.501

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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