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	hartrees
Energy at 0K	-174.067178
Energy at 298.15K	-174.077735
HF Energy	-173.311894
Nuclear repulsion energy	135.691732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3348	0.42
2	A'	3171	3004	43.15
3	A'	3153	2988	37.38
4	A'	3079	2917	4.05
5	A'	3000	2843	59.81
6	A'	1693	1604	31.55
7	A'	1541	1460	4.45
8	A'	1527	1447	2.97
9	A'	1448	1371	14.14
10	A'	1411	1337	15.46
11	A'	1231	1166	4.57
12	A'	1188	1126	21.53
13	A'	1028	974	6.49
14	A'	909	861	110.64
15	A'	840	796	1.68
16	A'	475	450	10.07
17	A'	366	346	0.13
18	A'	275	260	0.29
19	A"	3617	3427	0.00
20	A"	3165	2999	0.54
21	A"	3150	2985	17.34
22	A"	3076	2914	30.34
23	A"	1522	1442	0.07
24	A"	1518	1438	0.25
25	A"	1454	1377	14.33
26	A"	1414	1340	0.02
27	A"	1292	1224	0.00
28	A"	1065	1009	1.09
29	A"	980	929	0.49
30	A"	942	893	0.23
31	A"	405	384	6.07
32	A"	303	287	33.34
33	A"	223	211	5.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.295	0.225	0.000
N2	-0.919	1.045	0.000
H3	1.217	0.829	0.000
C4	0.295	-0.639	1.259
C5	0.295	-0.639	-1.259
H6	-0.922	1.652	-0.811
H7	-0.922	1.652	0.811
H8	-0.597	-1.270	1.279
H9	-0.597	-1.270	-1.279
H10	1.181	-1.278	1.293
H11	1.181	-1.278	-1.293
H12	0.293	-0.018	2.160
H13	0.293	-0.018	-2.160

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4647	1.1024	1.5262	1.5262	2.0439	2.0439	2.1602	2.1602	2.1710	2.1710	2.1734	2.1734
N2	1.4647		2.1464	2.4271	2.4271	1.0132	1.0132	2.6646	2.6646	3.3874	3.3874	2.6948	2.6948
H3	1.1024	2.1464		2.1418	2.1418	2.4316	2.4316	3.0550	3.0550	2.4717	2.4717	2.4970	2.4970
C4	1.5262	2.4271	2.1418		2.5171	3.3186	2.6323	1.0932	2.7633	1.0932	2.7754	1.0944	3.4743
C5	1.5262	2.4271	2.1418	2.5171		2.6323	3.3186	2.7633	1.0932	2.7754	1.0932	3.4743	1.0944
H6	2.0439	1.0132	2.4316	3.3186	2.6323		1.6226	3.6077	2.9772	4.1755	3.6386	3.6184	2.4666
H7	2.0439	1.0132	2.4316	2.6323	3.3186	1.6226		2.9772	3.6077	3.6386	4.1755	2.4666	3.6184
H8	2.1602	2.6646	3.0550	1.0932	2.7633	3.6077	2.9772		2.5587	1.7784	3.1270	1.7709	3.7668
H9	2.1602	2.6646	3.0550	2.7633	1.0932	2.9772	3.6077	2.5587		3.1270	1.7784	3.7668	1.7709
H10	2.1710	3.3874	2.4717	1.0932	2.7754	4.1755	3.6386	1.7784	3.1270		2.5855	1.7685	3.7810
H11	2.1710	3.3874	2.4717	2.7754	1.0932	3.6386	4.1755	3.1270	1.7784	2.5855		3.7810	1.7685
H12	2.1734	2.6948	2.4970	1.0944	3.4743	3.6184	2.4666	1.7709	3.7668	1.7685	3.7810		4.3196
H13	2.1734	2.6948	2.4970	3.4743	1.0944	2.4666	3.6184	3.7668	1.7709	3.7810	1.7685	4.3196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.803	C1	N2	H7	109.803
C1	C4	H8	110.024	C1	C4	H10	110.879
C1	C4	H12	110.993	C1	C5	H9	110.024
C1	C5	H11	110.879	C1	C5	H13	110.993
N2	C1	H3	112.701	N2	C1	C4	108.473
N2	C1	C5	108.473	H3	C1	C4	108.057
H3	C1	C5	108.057	C4	C1	C5	111.110
H6	N2	H7	106.396	H8	C4	H10	108.867
H8	C4	H12	108.102	H9	C5	H11	108.867
H9	C5	H13	108.102	H10	C4	H12	107.891
H11	C5	H13	107.891

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)

using model chemistry: QCISD/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 CH3CH(NH2)CH3 (2-Propanamine)

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

States and conformations

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)