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	hartrees
Energy at 0K	-213.890613
Energy at 298.15K	-213.903252
HF Energy	-213.890613
Nuclear repulsion energy	193.470704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3577	3460	1.73
2	A	3504	3390	0.67
3	A	3085	2985	41.03
4	A	3083	2983	32.59
5	A	3076	2976	65.33
6	A	3070	2970	11.81
7	A	3045	2946	29.95
8	A	3020	2922	37.40
9	A	3014	2916	21.14
10	A	3010	2912	12.82
11	A	2928	2832	65.32
12	A	1657	1603	30.02
13	A	1516	1466	14.94
14	A	1505	1456	3.30
15	A	1504	1455	2.58
16	A	1494	1446	1.72
17	A	1488	1440	1.14
18	A	1430	1384	11.35
19	A	1410	1365	0.49
20	A	1401	1355	6.56
21	A	1376	1332	2.40
22	A	1346	1302	0.07
23	A	1311	1268	6.70
24	A	1227	1187	0.16
25	A	1191	1153	1.27
26	A	1168	1130	3.91
27	A	1081	1046	2.07
28	A	1068	1033	20.80
29	A	968	936	0.28
30	A	936	905	0.76
31	A	929	899	4.64
32	A	917	887	14.89
33	A	822	795	94.14
34	A	791	765	12.10
35	A	482	467	5.91
36	A	414	400	0.53
37	A	362	350	0.15
38	A	271	263	10.43
39	A	257	248	4.04
40	A	227	220	11.25
41	A	212	205	18.98
42	A	121	117	3.60

Atom	x (Å)	y (Å)	z (Å)
N1	-2.019	-0.027	-0.197
H2	-2.821	-0.591	0.058
H3	-2.148	0.869	0.259
C4	-0.776	-0.671	0.248
H5	-0.673	-0.701	1.344
H6	-0.806	-1.709	-0.091
C7	1.723	-0.804	0.018
H8	1.879	-0.828	1.099
H9	1.648	-1.836	-0.330
H10	2.613	-0.364	-0.434
C11	0.606	1.455	0.111
H12	1.504	1.910	-0.308
H13	-0.243	2.059	-0.210
H14	0.681	1.521	1.201
C15	0.471	-0.001	-0.340
H16	0.351	-0.009	-1.428

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0134	1.0136	1.4693	2.1547	2.0765	3.8274	4.1850	4.0914	4.6503	3.0297	4.0220	2.7390	3.4118	2.4937	2.6699
H2	1.0134		1.6201	2.0554	2.5060	2.3089	4.5486	4.8194	4.6554	5.4609	3.9913	5.0097	3.7064	4.2464	3.3675	3.5502
H3	1.0136	1.6201		2.0627	2.4121	2.9272	4.2236	4.4496	4.6986	4.9669	2.8194	3.8401	2.2945	3.0522	2.8239	3.1401
C4	1.4693	2.0554	2.0627		1.1010	1.0923	2.5125	2.7920	2.7510	3.4705	2.5390	3.4887	2.8188	2.7992	1.5325	2.1251
H5	2.1547	2.5060	2.4121	1.1010		1.7585	2.7400	2.5664	3.0786	3.7512	2.7935	3.7802	3.1967	2.6065	2.1529	3.0348
H6	2.0765	2.3089	2.9272	1.0923	1.7585		2.6878	3.0662	2.4691	3.6900	3.4702	4.2990	3.8113	3.7834	2.1464	2.4523
C7	3.8274	4.5486	4.2236	2.5125	2.7400	2.6878		1.0931	1.0918	1.0910	2.5216	2.7424	3.4803	2.8091	1.5297	2.1458
H8	4.1850	4.8194	4.4496	2.7920	2.5664	3.0662	1.0931		1.7645	1.7618	2.7939	3.1011	3.8144	2.6385	2.1768	3.0647
H9	4.0914	4.6554	4.6986	2.7510	3.0786	2.4691	1.0918	1.7645		1.7633	3.4803	3.7492	4.3317	3.8146	2.1803	2.4957
H10	4.6503	5.4609	4.9669	3.4705	3.7512	3.6900	1.0910	1.7618	1.7633		2.7632	2.5333	3.7524	3.1557	2.1751	2.4970
C11	3.0297	3.9913	2.8194	2.5390	2.7935	3.4702	2.5216	2.7939	3.4803	2.7632		1.0912	1.0905	1.0940	1.5306	2.1394
H12	4.0220	5.0097	3.8401	3.4887	3.7802	4.2990	2.7424	3.1011	3.7492	2.5333	1.0912		1.7567	1.7623	2.1734	2.5036
H13	2.7390	3.7064	2.2945	2.8188	3.1967	3.8113	3.4803	3.8144	4.3317	3.7524	1.0905	1.7567		1.7704	2.1842	2.4721
H14	3.4118	4.2464	3.0522	2.7992	2.6065	3.7834	2.8091	2.6385	3.8146	3.1557	1.0940	1.7623	1.7704		2.1767	3.0595
C15	2.4937	3.3675	2.8239	1.5325	2.1529	2.1464	1.5297	2.1768	2.1803	2.1751	1.5306	2.1734	2.1842	2.1767		1.0941
H16	2.6699	3.5502	3.1401	2.1251	3.0348	2.4523	2.1458	3.0647	2.4957	2.4970	2.1394	2.5036	2.4721	3.0595	1.0941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.141	N1	C4	H6	107.395
N1	C4	C15	112.330	H2	N1	H3	106.127
H2	N1	C4	110.420	H3	N1	C4	111.018
C4	C15	C7	110.268	C4	C15	C11	111.972
C4	C15	H16	106.829	H5	C4	H6	106.599
H5	C4	C15	108.564	H6	C4	C15	108.559
C7	C15	C11	110.963	C7	C15	H16	108.597
H8	C7	H9	107.726	H8	C7	H10	107.537
H8	C7	C15	111.095	H9	C7	H10	107.766
H9	C7	C15	111.454	H10	C7	C15	111.084
C11	C15	H16	108.043	H12	C11	H13	107.255
H12	C11	H14	107.508	H12	C11	C15	110.869
H13	C11	H14	108.276	H13	C11	C15	111.783
H14	C11	C15	110.967

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

using model chemistry: B3LYP/aug-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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All results from a given calculation for C(NH2)H2C(CH3)HCH3 (1-Propanamine, 2-methyl-)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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