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	hartrees
Energy at 0K	-173.005856
Energy at 298.15K	-173.014185
Nuclear repulsion energy	124.444423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3369	3321	6.25
2	A	3180	3134	18.54
3	A	3089	3045	6.55
4	A	2984	2941	66.12
5	A	1647	1624	11.17
6	A	1479	1458	15.93
7	A	1387	1367	20.07
8	A	1226	1208	0.42
9	A	1155	1139	6.86
10	A	1031	1016	12.17
11	A	1001	987	14.33
12	A	843	831	115.76
13	A	813	801	27.56
14	A	757	746	2.55
15	A	400	394	6.46
16	A	3455	3405	0.43
17	A	3167	3122	0.28
18	A	3085	3041	20.78
19	A	1429	1408	1.92
20	A	1255	1237	0.89
21	A	1171	1154	0.06
22	A	1096	1080	0.51
23	A	1030	1015	2.00
24	A	889	877	8.22
25	A	822	810	1.43
26	A	390	384	9.99
27	A	277	273	37.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.322	0.425	0.000
H2	-1.280	0.974	0.000
N3	0.917	1.172	0.000
C4	-0.322	-0.885	0.757
C5	-0.322	-0.885	-0.757
H6	0.949	1.788	0.822
H7	0.949	1.788	-0.822
H8	-1.234	-1.183	1.284
H9	-1.234	-1.183	-1.284
H10	0.613	-1.156	1.256
H11	0.613	-1.156	-1.256

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1044	1.4472	1.5128	1.5128	2.0366	2.0366	2.2503	2.2503	2.2249	2.2249
H2	1.1044		2.2063	2.2242	2.2242	2.5108	2.5108	2.5103	2.5103	3.1142	3.1142
N3	1.4472	2.2063		2.5180	2.5180	1.0274	1.0274	3.4383	3.4383	2.6626	2.6626
C4	1.5128	2.2242	2.5180		1.5140	2.9603	3.3543	1.0945	2.2549	1.0939	2.2359
C5	1.5128	2.2242	2.5180	1.5140		3.3543	2.9603	2.2549	1.0945	2.2359	1.0939
H6	2.0366	2.5108	1.0274	2.9603	3.3543		1.6432	3.7153	4.2452	2.9947	3.6188
H7	2.0366	2.5108	1.0274	3.3543	2.9603	1.6432		4.2452	3.7153	3.6188	2.9947
H8	2.2503	2.5103	3.4383	1.0945	2.2549	3.7153	4.2452		2.5671	1.8476	3.1403
H9	2.2503	2.5103	3.4383	2.2549	1.0945	4.2452	3.7153	2.5671		3.1403	1.8476
H10	2.2249	3.1142	2.6626	1.0939	2.2359	2.9947	3.6188	1.8476	3.1403		2.5116
H11	2.2249	3.1142	2.6626	2.2359	1.0939	3.6188	2.9947	3.1403	1.8476	2.5116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.609	C1	N3	H7	109.609
C1	C4	C5	59.973	C1	C4	H8	118.447
C1	C4	H10	116.276	C1	C5	C4	59.973
C1	C5	H9	118.447	C1	C5	H11	116.276
H2	C1	N3	119.085	H2	C1	C4	115.507
H2	C1	C5	115.507	N3	C1	C4	116.555
N3	C1	C5	116.555	C4	C1	C5	60.055
C4	C5	H9	118.755	C4	C5	H11	117.128
C5	C4	H8	118.755	C5	C4	H10	117.128
H6	N3	H7	106.210	H8	C4	H10	115.188
H9	C5	H11	115.188

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.033
2	H	0.133
3	N	-0.700
4	C	-0.327
5	C	-0.327
6	H	0.299
7	H	0.299
8	H	0.157
9	H	0.157
10	H	0.171
11	H	0.171

	x	y	z	Total
	-0.769	1.138	0.000	1.374
CHELPG
AIM
ESP

	x	y	z
x	5.441	0.603	0.000
y	0.603	5.847	0.000
z	0.000	0.000	5.574

<r²>	77.944
(<r²>)^1/2	8.829

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)