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	hartrees
Energy at 0K	-172.031498
Energy at 298.15K	-172.040086
Nuclear repulsion energy	124.954238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3791	3413	0.67
2	A	3441	3098	45.64
3	A	3339	3007	14.40
4	A	3292	2964	64.23
5	A	1829	1647	34.87
6	A	1643	1479	15.22
7	A	1547	1393	25.80
8	A	1355	1220	4.62
9	A	1280	1153	7.15
10	A	1200	1080	14.58
11	A	1078	971	1.43
12	A	889	801	4.52
13	A	841	758	13.42
14	A	661	595	317.84
15	A	442	398	10.17
16	A	3916	3526	7.42
17	A	3427	3085	0.02
18	A	3325	2994	37.08
19	A	1604	1444	5.05
20	A	1357	1222	9.92
21	A	1316	1185	1.17
22	A	1261	1136	1.14
23	A	1230	1108	3.32
24	A	977	880	3.58
25	A	918	827	20.96
26	A	427	385	4.16
27	A	289	260	38.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.536	0.000
H2	-0.401	1.536	0.000
N3	1.433	0.407	0.000
C4	-0.798	-0.504	0.760
C5	-0.798	-0.504	-0.760
H6	1.900	0.688	0.836
H7	1.900	0.688	-0.836
H8	-1.688	-0.192	1.272
H9	-1.688	-0.192	-1.272
H10	-0.242	-1.274	1.256
H11	-0.242	-1.274	-1.256

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0778	1.4392	1.5149	1.5149	2.0814	2.0814	2.2353	2.2353	2.2164	2.2164
H2	1.0778		2.1543	2.2126	2.2126	2.5914	2.5914	2.5019	2.5019	3.0823	3.0823
N3	1.4392	2.1543		2.5271	2.5271	0.9975	0.9975	3.4236	3.4236	2.6855	2.6855
C4	1.5149	2.2126	2.5271		1.5203	2.9504	3.3535	1.0729	2.2401	1.0719	2.2291
C5	1.5149	2.2126	2.5271	1.5203		3.3535	2.9504	2.2401	1.0729	2.2291	1.0719
H6	2.0814	2.5914	0.9975	2.9504	3.3535		1.6714	3.7202	4.2534	2.9350	3.5797
H7	2.0814	2.5914	0.9975	3.3535	2.9504	1.6714		4.2534	3.7202	3.5797	2.9350
H8	2.2353	2.5019	3.4236	1.0729	2.2401	3.7202	4.2534		2.5434	1.8063	3.1070
H9	2.2353	2.5019	3.4236	2.2401	1.0729	4.2534	3.7202	2.5434		3.1070	1.8063
H10	2.2164	3.0823	2.6855	1.0719	2.2291	2.9350	3.5797	1.8063	3.1070		2.5127
H11	2.2164	3.0823	2.6855	2.2291	1.0719	3.5797	2.9350	3.1070	1.8063	2.5127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	116.159	C1	N3	H7	116.159
C1	C4	C5	59.882	C1	C4	H8	118.492
C1	C4	H10	116.887	C1	C5	C4	59.882
C1	C5	H9	118.492	C1	C5	H11	116.887
H2	C1	N3	116.990	H2	C1	C4	116.145
H2	C1	C5	116.145	N3	C1	C4	117.600
N3	C1	C5	117.600	C4	C1	C5	60.237
C4	C5	H9	118.474	C4	C5	H11	117.576
C5	C4	H8	118.474	C5	C4	H10	117.576
H6	N3	H7	113.819	H8	C4	H10	114.732
H9	C5	H11	114.732

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HF/SDD

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	-0.035
2	H	0.187
3	N	-0.767
4	C	-0.400
5	C	-0.400
6	H	0.309
7	H	0.309
8	H	0.191
9	H	0.191
10	H	0.208
11	H	0.208

	x	y	z	Total
	0.107	1.206	0.000	1.211
CHELPG
AIM
ESP

	x	y	z
x	5.505	0.403	0.000
y	0.403	4.680	0.000
z	0.000	0.000	5.433

<r²>	78.163
(<r²>)^1/2	8.841

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)