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	hartrees
Energy at 0K	-247.107757
Energy at 298.15K	-247.115863
Nuclear repulsion energy	180.330635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3971	3608	54.25
2	A	3834	3483	54.02
3	A	3250	2953	34.64
4	A	3232	2937	33.15
5	A	3184	2893	13.56
6	A	3173	2883	25.98
7	A	3156	2868	32.50
8	A	1935	1759	421.70
9	A	1769	1607	123.16
10	A	1619	1471	10.44
11	A	1608	1461	6.06
12	A	1590	1445	6.20
13	A	1549	1408	16.26
14	A	1530	1390	54.37
15	A	1398	1270	0.03
16	A	1380	1254	167.86
17	A	1216	1105	2.25
18	A	1204	1094	0.43
19	A	1142	1037	11.88
20	A	1070	973	2.08
21	A	883	803	8.76
22	A	850	772	1.42
23	A	667	606	8.61
24	A	653	594	12.56
25	A	538	489	2.28
26	A	476	432	4.77
27	A	273	248	10.18
28	A	236	215	0.01
29	A	87	79	216.58
30	A	10	9	7.75

Atom	x (Å)	y (Å)	z (Å)
H1	-2.583	-0.007	0.000
H2	-1.785	-1.516	0.000
N3	-1.740	-0.528	0.000
O4	-0.513	1.331	-0.000
C5	-0.561	0.140	-0.000
H6	0.617	-1.393	0.869
H7	0.617	-1.392	-0.869
C8	0.673	-0.743	-0.000
H9	2.819	-0.635	-0.000
H10	2.043	0.679	-0.872
H11	2.043	0.678	0.873
C12	1.974	0.043	0.000

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7065	0.9911	2.4646	2.0267	3.5935	3.5937	3.3375	5.4381	4.7571	4.7572	4.5572
H2	1.7065		0.9887	3.1182	2.0593	2.5575	2.5580	2.5764	4.6876	4.4981	4.4979	4.0700
N3	0.9911	0.9887		2.2273	1.3547	2.6563	2.6566	2.4218	4.5598	4.0653	4.0653	3.7576
O4	2.4646	3.1182	2.2273		1.1917	3.0742	3.0739	2.3892	3.8688	2.7784	2.7791	2.8007
C5	2.0267	2.0593	1.3547	1.1917		2.1198	2.1197	1.5177	3.4681	2.7989	2.7992	2.5374
H6	3.5935	2.5575	2.6563	3.0742	2.1198		1.7380	1.0861	2.4853	3.0586	2.5141	2.1584
H7	3.5937	2.5580	2.6566	3.0739	2.1197	1.7380		1.0861	2.4851	2.5143	3.0586	2.1583
C8	3.3375	2.5764	2.4218	2.3892	1.5177	1.0861	1.0861		2.1491	2.1589	2.1590	1.5210
H9	5.4381	4.6876	4.5598	3.8688	3.4681	2.4853	2.4851	2.1491		1.7574	1.7574	1.0836
H10	4.7571	4.4981	4.0653	2.7784	2.7989	3.0586	2.5143	2.1589	1.7574		1.7455	1.0814
H11	4.7572	4.4979	4.0653	2.7791	2.7992	2.5141	3.0586	2.1590	1.7574	1.7455		1.0814
C12	4.5572	4.0700	3.7576	2.8007	2.5374	2.1584	2.1583	1.5210	1.0836	1.0814	1.0814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	119.073	H1	N3	C5	118.718
H2	N3	C5	122.208	N3	C5	O4	121.890
N3	C5	C8	114.829	O4	C5	C8	123.280
C5	C8	H6	107.851	C5	C8	H7	107.848
C5	C8	C12	113.242	H6	C8	H7	106.284
H6	C8	C12	110.659	H7	C8	C12	110.658
C8	C12	H9	110.071	C8	C12	H10	110.992
C8	C12	H11	110.992	H9	C12	H10	108.539
H9	C12	H11	108.537	H10	C12	H11	107.620

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: HF/6-311+G(3df,2p)

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	H	0.157
2	H	0.180
3	N	-0.843
4	O	-0.945
5	C	1.328
6	H	0.147
7	H	0.147
8	C	-0.297
9	H	0.116
10	H	0.136
11	H	0.136
12	C	-0.262

	x	y	z	Total
	-0.688	-3.839	-0.000	3.901
CHELPG
AIM
ESP

	x	y	z
x	7.615	0.303	-0.000
y	0.303	7.070	0.000
z	-0.000	0.000	5.459

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7NO (Propanamide)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)