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	hartrees
Energy at 0K	-173.149936
Energy at 298.15K	-173.158228
Nuclear repulsion energy	123.701301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3318	3323	9.58
2	A	3146	3151	22.21
3	A	3048	3053	6.90
4	A	2950	2954	69.33
5	A	1596	1599	5.87
6	A	1435	1437	15.63
7	A	1347	1349	18.97
8	A	1193	1195	0.46
9	A	1126	1128	6.15
10	A	1002	1003	11.51
11	A	984	985	10.01
12	A	839	840	102.57
13	A	790	792	9.75
14	A	741	742	3.13
15	A	396	396	4.44
16	A	3385	3390	1.57
17	A	3133	3138	0.30
18	A	3043	3048	23.51
19	A	1382	1384	1.27
20	A	1239	1241	0.36
21	A	1148	1150	0.06
22	A	1077	1079	0.13
23	A	1017	1018	0.72
24	A	858	859	7.68
25	A	806	807	2.48
26	A	383	383	7.74
27	A	271	271	28.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.537	0.000
H2	-0.429	1.560	0.000
N3	1.449	0.375	0.000
C4	-0.797	-0.512	0.763
C5	-0.797	-0.512	-0.763
H6	1.846	0.862	0.820
H7	1.846	0.862	-0.820
H8	-1.709	-0.195	1.290
H9	-1.709	-0.195	-1.290
H10	-0.211	-1.297	1.260
H11	-0.211	-1.297	-1.260

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1091	1.4577	1.5223	1.5223	2.0460	2.0460	2.2628	2.2628	2.2351	2.2351
H2	1.1091		2.2201	2.2380	2.2380	2.5170	2.5170	2.5263	2.5263	3.1299	3.1299
N3	1.4577	2.2201		2.5324	2.5324	1.0328	1.0328	3.4582	3.4582	2.6716	2.6716
C4	1.5223	2.2380	2.5324		1.5263	2.9796	3.3734	1.0994	2.2688	1.0990	2.2483
C5	1.5223	2.2380	2.5324	1.5263		3.3734	2.9796	2.2688	1.0994	2.2483	1.0990
H6	2.0460	2.5170	1.0328	2.9796	3.3734		1.6391	3.7385	4.2669	3.0142	3.6355
H7	2.0460	2.5170	1.0328	3.3734	2.9796	1.6391		4.2669	3.7385	3.6355	3.0142
H8	2.2628	2.5263	3.4582	1.0994	2.2688	3.7385	4.2669		2.5804	1.8598	3.1564
H9	2.2628	2.5263	3.4582	2.2688	1.0994	4.2669	3.7385	2.5804		3.1564	1.8598
H10	2.2351	3.1299	2.6716	1.0990	2.2483	3.0142	3.6355	1.8598	3.1564		2.5205
H11	2.2351	3.1299	2.6716	2.2483	1.0990	3.6355	3.0142	3.1564	1.8598	2.5205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.282	C1	N3	H7	109.282
C1	C4	C5	59.913	C1	C4	H8	118.441
C1	C4	H10	116.065	C1	C5	C4	59.913
C1	C5	H9	118.441	C1	C5	H11	116.065
H2	C1	N3	119.124	H2	C1	C4	115.637
H2	C1	C5	115.637	N3	C1	C4	116.360
N3	C1	C5	116.360	C4	C1	C5	60.175
C4	C5	H9	118.646	C4	C5	H11	116.890
C5	C4	H8	118.646	C5	C4	H10	116.890
H6	N3	H7	105.034	H8	C4	H10	115.552
H9	C5	H11	115.552

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: BLYP/cc-pVDZ

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	-0.054
2	H	-0.036
3	N	-0.107
4	C	0.033
5	C	0.033
6	H	0.064
7	H	0.064
8	H	0.000
9	H	0.000
10	H	0.002
11	H	0.002

	x	y	z	Total
	0.175	1.262	0.000	1.274
CHELPG
AIM
ESP

	x	y	z
x	6.590	0.444	0.000
y	0.444	5.616	0.000
z	0.000	0.000	5.961

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)