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	hartrees
Energy at 0K	-213.188481
Energy at 298.15K	-213.201340
HF Energy	-212.359808
Nuclear repulsion energy	194.681240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3632	3440	0.03
2	A	3539	3352	1.04
3	A	3177	3009	34.61
4	A	3172	3005	23.39
5	A	3160	2993	41.07
6	A	3158	2991	23.97
7	A	3131	2965	11.65
8	A	3077	2914	34.85
9	A	3074	2912	19.36
10	A	3072	2909	21.18
11	A	2984	2826	68.72
12	A	1742	1650	54.73
13	A	1555	1473	12.29
14	A	1540	1459	6.87
15	A	1538	1457	5.69
16	A	1530	1449	5.86
17	A	1515	1435	0.95
18	A	1457	1380	6.26
19	A	1443	1367	13.49
20	A	1437	1361	10.88
21	A	1418	1343	10.13
22	A	1360	1288	0.64
23	A	1331	1260	0.84
24	A	1285	1217	0.33
25	A	1230	1165	1.51
26	A	1191	1128	12.71
27	A	1102	1044	1.08
28	A	1065	1009	2.54
29	A	1039	984	7.39
30	A	1002	949	2.39
31	A	978	926	28.57
32	A	914	866	106.84
33	A	838	794	2.01
34	A	787	746	0.74
35	A	489	463	7.19
36	A	470	445	6.11
37	A	387	366	0.10
38	A	320	303	31.43
39	A	267	253	5.06
40	A	242	229	2.58
41	A	223	211	23.67
42	A	121	114	2.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.527	1.372	-0.233
H2	-0.223	1.933	0.154
H3	1.394	1.823	0.038
C4	1.780	-0.693	-0.020
H5	1.907	-0.700	-1.106
H6	2.645	-0.189	0.422
H7	1.773	-1.723	0.342
C8	0.485	0.022	0.337
H9	0.391	0.036	1.438
C10	-0.722	-0.726	-0.221
H11	-0.586	-0.824	-1.303
H12	-0.727	-1.737	0.203
C13	-2.054	-0.041	0.072
H14	-2.895	-0.661	-0.247
H15	-2.133	0.910	-0.460
H16	-2.172	0.151	1.143

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0133	1.0142	2.4242	2.6379	2.7109	3.3858	1.4662	2.1436	2.4415	2.6850	3.3803	2.9582	3.9804	2.7097	3.2664
H2	1.0133		1.6255	3.3070	3.6132	3.5777	4.1700	2.0466	2.3719	2.7309	3.1397	3.7044	2.6933	3.7452	2.2520	2.8201
H3	1.0142	1.6255		2.5455	2.8167	2.3995	3.5794	2.0397	2.4823	3.3229	3.5676	4.1471	3.9199	4.9647	3.6777	4.0911
C4	2.4242	3.3070	2.5455		1.0929	1.0945	1.0926	1.5213	2.1418	2.5103	2.6944	2.7249	3.8901	4.6805	4.2513	4.2051
H5	2.6379	3.6132	2.8167	1.0929		1.7714	1.7781	2.1505	3.0515	2.7746	2.5040	3.1190	4.1849	4.8786	4.3969	4.7352
H6	2.7109	3.5777	2.3995	1.0945	1.7714		1.7672	2.1719	2.4832	3.4699	3.7173	3.7171	4.7145	5.6003	4.9816	4.8828
H7	3.3858	4.1700	3.5794	1.0926	1.7781	1.7672		2.1688	2.4914	2.7455	3.0129	2.5040	4.1893	4.8235	4.7786	4.4405
C8	1.4662	2.0466	2.0397	1.5213	2.1505	2.1719	2.1688		1.1051	1.5256	2.1340	2.1400	2.5538	3.4975	2.8775	2.7798
H9	2.1436	2.3719	2.4823	2.1418	3.0515	2.4832	2.4914	1.1051		2.1378	3.0345	2.4324	2.8016	3.7578	3.2766	2.5822
C10	2.4415	2.7309	3.3229	2.5103	2.7746	3.4699	2.7455	1.5256	2.1378		1.0955	1.0962	1.5260	2.1739	2.1732	2.1750
H11	2.6850	3.1397	3.5676	2.6944	2.5040	3.7173	3.0129	2.1340	3.0345	1.0955		1.7666	2.1590	2.5446	2.4726	3.0746
H12	3.3803	3.7044	4.1471	2.7249	3.1190	3.7171	2.5040	2.1400	2.4324	1.0962	1.7666		2.1574	2.4617	3.0693	2.5563
C13	2.9582	2.6933	3.9199	3.8901	4.1849	4.7145	4.1893	2.5538	2.8016	1.5260	2.1590	2.1574		1.0925	1.0921	1.0947
H14	3.9804	3.7452	4.9647	4.6805	4.8786	5.6003	4.8235	3.4975	3.7578	2.1739	2.5446	2.4617	1.0925		1.7586	1.7648
H15	2.7097	2.2520	3.6777	4.2513	4.3969	4.9816	4.7786	2.8775	3.2766	2.1732	2.4726	3.0693	1.0921	1.7586		1.7741
H16	3.2664	2.8201	4.0911	4.2051	4.7352	4.8828	4.4405	2.7798	2.5822	2.1750	3.0746	2.5563	1.0947	1.7648	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.466	N1	C8	H9	112.200
N1	C8	C10	109.372	H2	N1	H3	106.585
H2	N1	C8	109.911	H3	N1	C8	109.289
C4	C8	H9	108.230	C4	C8	C10	110.954
H5	C4	H6	108.160	H5	C4	H7	108.898
H5	C4	C8	109.610	H6	C4	H7	107.800
H6	C4	C8	111.208	H7	C4	C8	111.081
C8	C10	H11	107.876	C8	C10	H12	108.298
C8	C10	C13	113.621	H9	C8	C10	107.633
C10	C13	H14	111.164	C10	C13	H15	111.134
C10	C13	H16	111.121	H11	C10	H12	107.414
H11	C10	C13	109.800	H12	C10	C13	109.630
H14	C13	H15	107.221	H14	C13	H16	107.587
H15	C13	H16	108.447

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

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

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