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	hartrees
Energy at 0K	-173.173726
Energy at 298.15K	-173.181972
Nuclear repulsion energy	123.663925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3360	3354	5.01
2	A	3156	3150	20.49
3	A	3062	3056	7.53
4	A	2988	2983	53.83
5	A	1597	1594	11.75
6	A	1444	1441	13.49
7	A	1347	1344	27.92
8	A	1194	1191	2.03
9	A	1124	1122	3.17
10	A	993	991	17.50
11	A	966	964	1.49
12	A	801	800	49.27
13	A	770	769	77.33
14	A	736	734	3.84
15	A	398	397	5.53
16	A	3436	3430	0.18
17	A	3143	3137	0.20
18	A	3058	3052	25.22
19	A	1407	1404	1.71
20	A	1215	1213	0.75
21	A	1147	1145	0.27
22	A	1075	1073	1.13
23	A	1009	1007	1.38
24	A	851	849	6.36
25	A	805	804	4.80
26	A	381	380	4.54
27	A	250	250	27.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.325	0.423	0.000
H2	-1.276	0.982	0.000
N3	0.919	1.187	0.000
C4	-0.325	-0.893	0.764
C5	-0.325	-0.893	-0.764
H6	0.972	1.797	0.824
H7	0.972	1.797	-0.824
H8	-1.241	-1.189	1.288
H9	-1.241	-1.189	-1.288
H10	0.610	-1.168	1.264
H11	0.610	-1.168	-1.264

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1032	1.4598	1.5218	1.5218	2.0610	2.0610	2.2576	2.2576	2.2373	2.2373
H2	1.1032		2.2048	2.2370	2.2370	2.5290	2.5290	2.5246	2.5246	3.1275	3.1275
N3	1.4598	2.2048		2.5411	2.5411	1.0266	1.0266	3.4596	3.4596	2.6909	2.6909
C4	1.5218	2.2370	2.5411		1.5287	2.9865	3.3821	1.0959	2.2672	1.0955	2.2505
C5	1.5218	2.2370	2.5411	1.5287		3.3821	2.9865	2.2672	1.0959	2.2505	1.0955
H6	2.0610	2.5290	1.0266	2.9865	3.3821		1.6482	3.7449	4.2745	3.0195	3.6448
H7	2.0610	2.5290	1.0266	3.3821	2.9865	1.6482		4.2745	3.7449	3.6448	3.0195
H8	2.2576	2.5246	3.4596	1.0959	2.2672	3.7449	4.2745		2.5768	1.8513	3.1530
H9	2.2576	2.5246	3.4596	2.2672	1.0959	4.2745	3.7449	2.5768		3.1530	1.8513
H10	2.2373	3.1275	2.6909	1.0955	2.2505	3.0195	3.6448	1.8513	3.1530		2.5279
H11	2.2373	3.1275	2.6909	2.2505	1.0955	3.6448	3.0195	3.1530	1.8513	2.5279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.762	C1	N3	H7	110.762
C1	C4	C5	59.850	C1	C4	H8	118.274
C1	C4	H10	116.534	C1	C5	C4	59.850
C1	C5	H9	118.274	C1	C5	H11	116.534
H2	C1	N3	118.013	H2	C1	C4	115.984
H2	C1	C5	115.984	N3	C1	C4	116.898
N3	C1	C5	116.898	C4	C1	C5	60.299
C4	C5	H9	118.569	C4	C5	H11	117.133
C5	C4	H8	118.569	C5	C4	H10	117.133
H6	N3	H7	106.785	H8	C4	H10	115.296
H9	C5	H11	115.296

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: BLYP/aug-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	1.100
2	H	-0.657
3	N	-0.060
4	C	1.296
5	C	1.296
6	H	-0.104
7	H	-0.104
8	H	-0.714
9	H	-0.714
10	H	-0.670
11	H	-0.670

	x	y	z	Total
	-0.812	0.923	0.000	1.229
CHELPG
AIM
ESP

	x	y	z
x	7.077	0.523	0.000
y	0.523	7.873	0.000
z	0.000	0.000	7.191

<r²>	79.757
(<r²>)^1/2	8.931

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)