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	hartrees
Energy at 0K	-172.223434
Energy at 298.15K	-172.231793
Nuclear repulsion energy	124.644367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3446	3307	1.43
2	A	3285	3152	11.10
3	A	3182	3052	4.93
4	A	3071	2947	62.87
5	A	1713	1644	11.11
6	A	1510	1448	10.90
7	A	1414	1356	25.67
8	A	1224	1175	2.71
9	A	1179	1132	1.32
10	A	1071	1028	35.43
11	A	1008	967	0.76
12	A	822	788	1.63
13	A	784	753	4.97
14	A	647	621	222.95
15	A	402	386	5.67
16	A	3546	3402	0.10
17	A	3270	3137	0.20
18	A	3175	3046	13.35
19	A	1485	1425	6.79
20	A	1282	1230	1.68
21	A	1212	1163	0.05
22	A	1148	1101	0.43
23	A	1098	1054	6.62
24	A	890	854	3.12
25	A	850	815	6.65
26	A	408	391	12.12
27	A	285	273	44.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.550	0.000
H2	-0.428	1.557	0.000
N3	1.431	0.366	0.000
C4	-0.796	-0.498	0.761
C5	-0.796	-0.498	-0.761
H6	1.884	0.725	0.843
H7	1.884	0.725	-0.843
H8	-1.697	-0.183	1.274
H9	-1.697	-0.183	-1.274
H10	-0.204	-1.265	1.243
H11	-0.204	-1.265	-1.243

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0940	1.4427	1.5197	1.5197	2.0707	2.0707	2.2454	2.2454	2.2092	2.2092
H2	1.0940		2.2073	2.2213	2.2213	2.5970	2.5970	2.5023	2.5023	3.0915	3.0915
N3	1.4427	2.2073		2.5070	2.5070	1.0213	1.0213	3.4223	3.4223	2.6226	2.6226
C4	1.5197	2.2213	2.5070		1.5211	2.9464	3.3533	1.0842	2.2478	1.0830	2.2261
C5	1.5197	2.2213	2.5070	1.5211		3.3533	2.9464	2.2478	1.0842	2.2261	1.0830
H6	2.0707	2.5970	1.0213	2.9464	3.3533		1.6850	3.7193	4.2577	2.9111	3.5588
H7	2.0707	2.5970	1.0213	3.3533	2.9464	1.6850		4.2577	3.7193	3.5588	2.9111
H8	2.2454	2.5023	3.4223	1.0842	2.2478	3.7193	4.2577		2.5488	1.8449	3.1212
H9	2.2454	2.5023	3.4223	2.2478	1.0842	4.2577	3.7193	2.5488		3.1212	1.8449
H10	2.2092	3.0915	2.6226	1.0830	2.2261	2.9111	3.5588	1.8449	3.1212		2.4867
H11	2.2092	3.0915	2.6226	2.2261	1.0830	3.5588	2.9111	3.1212	1.8449	2.4867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	113.254	C1	N3	H7	113.254
C1	C4	C5	59.968	C1	C4	H8	118.199
C1	C4	H10	115.131	C1	C5	C4	59.968
C1	C5	H9	118.199	C1	C5	H11	115.131
H2	C1	N3	120.334	H2	C1	C4	115.432
H2	C1	C5	115.432	N3	C1	C4	115.590
N3	C1	C5	115.590	C4	C1	C5	60.063
C4	C5	H9	118.289	C4	C5	H11	116.471
C5	C4	H8	118.289	C5	C4	H10	116.471
H6	N3	H7	111.159	H8	C4	H10	116.704
H9	C5	H11	116.704

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3PW91/3-21G*

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	-0.132
2	H	0.197
3	N	-0.693
4	C	-0.423
5	C	-0.423
6	H	0.284
7	H	0.284
8	H	0.215
9	H	0.215
10	H	0.238
11	H	0.238

	x	y	z	Total
	0.281	1.287	0.000	1.317
CHELPG
AIM
ESP

<r²>	77.460
(<r²>)^1/2	8.801

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)