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	hartrees
Energy at 0K	-212.943634
Energy at 298.15K	-212.956611
HF Energy	-212.318726
Nuclear repulsion energy	194.748671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3712	3429	0.02
2	A	3626	3350	0.37
3	A	3249	3001	38.35
4	A	3240	2993	37.69
5	A	3231	2985	44.77
6	A	3229	2983	29.83
7	A	3202	2958	10.35
8	A	3161	2919	17.40
9	A	3156	2915	44.11
10	A	3155	2914	13.93
11	A	3062	2828	69.83
12	A	1780	1644	47.43
13	A	1609	1486	7.87
14	A	1597	1475	2.35
15	A	1597	1475	5.09
16	A	1590	1468	2.84
17	A	1579	1459	0.30
18	A	1532	1415	4.50
19	A	1512	1396	10.26
20	A	1506	1391	8.80
21	A	1481	1368	12.31
22	A	1423	1315	2.90
23	A	1379	1274	1.32
24	A	1333	1232	0.60
25	A	1273	1176	1.51
26	A	1242	1148	16.53
27	A	1133	1047	1.87
28	A	1095	1011	2.70
29	A	1079	997	6.07
30	A	1041	962	3.92
31	A	1001	925	16.09
32	A	949	876	118.46
33	A	863	797	3.70
34	A	816	753	0.55
35	A	506	467	8.12
36	A	479	443	5.66
37	A	397	367	0.15
38	A	321	297	41.05
39	A	277	256	1.90
40	A	248	229	5.11
41	A	239	221	14.99
42	A	114	106	2.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.563	1.371	-0.234
H2	-0.210	1.935	0.089
H3	1.402	1.831	0.094
C4	1.769	-0.715	-0.010
H5	1.902	-0.754	-1.090
H6	2.637	-0.213	0.419
H7	1.748	-1.732	0.378
C8	0.485	0.025	0.329
H9	0.380	0.041	1.424
C10	-0.729	-0.701	-0.241
H11	-0.608	-0.766	-1.324
H12	-0.730	-1.723	0.144
C13	-2.063	-0.041	0.088
H14	-2.895	-0.650	-0.263
H15	-2.155	0.934	-0.388
H16	-2.183	0.092	1.164

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0102	1.0112	2.4205	2.6538	2.6902	3.3783	1.4620	2.1336	2.4426	2.6700	3.3746	2.9993	4.0054	2.7576	3.3363
H2	1.0102		1.6151	3.3093	3.6171	3.5816	4.1675	2.0468	2.3906	2.7071	3.0743	3.6947	2.7087	3.7433	2.2390	2.9053
H3	1.0112	1.6151		2.5749	2.8877	2.4103	3.5917	2.0396	2.4526	3.3267	3.5775	4.1444	3.9381	4.9741	3.6998	4.1249
C4	2.4205	3.3093	2.5749		1.0888	1.0906	1.0891	1.5208	2.1352	2.5094	2.7170	2.6992	3.8927	4.6712	4.2738	4.2011
H5	2.6538	3.6171	2.8877	1.0888		1.7639	1.7709	2.1516	3.0445	2.7651	2.5211	3.0639	4.1973	4.8682	4.4499	4.7414
H6	2.6902	3.5816	2.4103	1.0906	1.7639		1.7610	2.1673	2.4838	3.4651	3.7251	3.7002	4.7150	5.5906	4.9932	4.8865
H7	3.3783	4.1675	3.5917	1.0891	1.7709	1.7610		2.1647	2.4722	2.7541	3.0632	2.4892	4.1800	4.8101	4.7889	4.4045
C8	1.4620	2.0468	2.0396	1.5208	2.1516	2.1673	2.1647		1.0997	1.5251	2.1336	2.1359	2.5600	3.4964	2.8828	2.7957
H9	2.1336	2.3906	2.4526	2.1352	3.0445	2.4838	2.4722	1.0997		2.1340	3.0293	2.4454	2.7856	3.7477	3.2415	2.5761
C10	2.4426	2.7071	3.3267	2.5094	2.7651	3.4651	2.7541	1.5251	2.1340		1.0908	1.0917	1.5245	2.1660	2.1747	2.1720
H11	2.6700	3.0743	3.5775	2.7170	2.5211	3.7251	3.0632	2.1336	3.0293	1.0908		1.7561	2.1528	2.5227	2.4816	3.0665
H12	3.3746	3.6947	4.1444	2.6992	3.0639	3.7002	2.4892	2.1359	2.4454	1.0917	1.7561		2.1469	2.4498	3.0615	2.5386
C13	2.9993	2.7087	3.9381	3.8927	4.1973	4.7150	4.1800	2.5600	2.7856	1.5245	2.1528	2.1469		1.0889	1.0888	1.0909
H14	4.0054	3.7433	4.9741	4.6712	4.8682	5.5906	4.8101	3.4964	3.7477	2.1660	2.5227	2.4498	1.0889		1.7527	1.7592
H15	2.7576	2.2390	3.6998	4.2738	4.4499	4.9932	4.7889	2.8828	3.2415	2.1747	2.4816	3.0615	1.0888	1.7527		1.7660
H16	3.3363	2.9053	4.1249	4.2011	4.7414	4.8865	4.4045	2.7957	2.5761	2.1720	3.0665	2.5386	1.0909	1.7592	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.462	N1	C8	H9	112.017
N1	C8	C10	109.690	H2	N1	H3	106.066
H2	N1	C8	110.440	H3	N1	C8	109.761
C4	C8	H9	108.056	C4	C8	C10	110.942
H5	C4	H6	108.069	H5	C4	H7	108.808
H5	C4	C8	109.969	H6	C4	H7	107.787
H6	C4	C8	111.114	H7	C4	C8	111.001
C8	C10	H11	108.145	C8	C10	H12	108.276
C8	C10	C13	114.169	H9	C8	C10	107.680
C10	C13	H14	110.850	C10	C13	H15	111.553
C10	C13	H16	111.213	H11	C10	H12	107.140
H11	C10	C13	109.696	H12	C10	C13	109.175
H14	C13	H15	107.188	H14	C13	H16	107.619
H15	C13	H16	108.237

All results from a given calculation for CH₃C(NH₂)HCH₂CH₃ (2-Butanamine)

using model chemistry: CID/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 CH3C(NH2)HCH2CH3 (2-Butanamine)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for CH₃C(NH₂)HCH₂CH₃ (2-Butanamine)